ALA294162Name:
2-[(2-Hydroxy-ethylamino)-methylene]-malononitrileMol. Formula:
C6H7N3OM.W.:
137.14Type:
Small moleculeAlogP:
-0.50Polar Surface Area:
79.84HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA56854Name:
2-Phenylaminomethylene-malononitrileCas Number:
1202-48-8Mol. Formula:
C10H7N3M.W.:
169.19Type:
Small moleculeAlogP:
2.03Polar Surface Area:
59.61HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.69DETAILS
ALA300157Name:
2-[(4-Fluoro-phenylamino)-methylene]-malononitrileCas Number:
195243-31-3Mol. Formula:
C10H6FN3M.W.:
187.18Type:
Small moleculeAlogP:
2.17Polar Surface Area:
59.61HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS
Type:
Small moleculeAlogP:
-0.80Polar Surface Area:
91.28HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
0.47Polar Surface Area:
101.64HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
Small moleculeAlogP:
1.13Polar Surface Area:
66.95HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS
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