|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
|
|
chemicalCompound:standardIn... |
XNWFRZJHXBZDAG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COCCO
|
|
chemicalCompound:molecularF... |
C3H8O2
|
|
chemicalCompound:moleculeId |
515029
|
|
chemicalCompound:mwFreebase |
76.0944
|
|
chemicalCompound:alogp |
-0.489
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
29.46
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.695
|
|
chemicalCompound:acdLogD |
-0.695
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
76.0944
|
|
chemicalCompound:chemblId |
CHEMBL444144
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
2-METHOXYETHANOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2385437,
activity:8286709,
activity:8338227,
activity:8370660,
activity:8441456,
activity:8483189,
activity:8530162,
activity:8604110,
activity:8606755,
activity:8665611,
activity:8694114,
activity:8787385,
activity:8812620,
activity:8819816,
activity:8907015,
activity:8936097,
activity:8970132,
activity:8999213,
activity:9023863,
activity:9029609,
activity:9168892,
activity:9216880,
activity:9242513,
activity:9258237,
activity:9310563,
activity:9385641,
activity:9451825,
activity:9462511,
activity:9538060,
activity:9638293,
activity:9711267,
activity:9753060,
activity:9773345,
activity:9810136,
activity:9849261,
activity:9895289,
activity:9966808,
activity:9995336,
activity:10028132,
activity:10113624,
activity:10178278,
activity:10195924,
activity:10216187,
activity:10293738,
activity:10305784,
activity:10343771,
activity:10367284,
activity:10497889,
activity:10530670,
activity:10549984,
activity:10568258,
activity:10623190,
activity:10712271,
activity:10736858,
activity:10764027,
activity:10796336,
activity:10814294,
activity:10814581
|
