Type:
---AlogP:
6.27Polar Surface Area:
79.15HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
---AlogP:
3.09Polar Surface Area:
101.47HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
---AlogP:
1.85Polar Surface Area:
146.64HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
---AlogP:
2.30Polar Surface Area:
135.28HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
UnknownAlogP:
4.56Polar Surface Area:
83.47HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.59DETAILS-
Type:
UnknownAlogP:
4.86Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4071146
Name:
3-bromo-5-methyl-N-(octadec-9-enyl)pyrazolo[1,5-a]pyrimidin-7-amineMol. Formula:
C25H41BrN4M.W.:
477.54Type:
Small moleculeAlogP:
8.25Polar Surface Area:
42.22HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
1.63Polar Surface Area:
87.15HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA3763675
Name:
2-[(5-Phenylfuran-2-yl)methylidene]hydrazinecarboximidamide hydrochlorideMol. Formula:
C12H13ClN4OM.W.:
264.72Type:
Small moleculeAlogP:
1.76Polar Surface Area:
87.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
2.10Polar Surface Area:
98.05HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
74.26HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
2.37Polar Surface Area:
74.26HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.24Polar Surface Area:
83.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.23Polar Surface Area:
74.26HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS - 5-Phenylthiophene-2-carboxaldehyde
Name:
5-Phenylthiophene-2-carbaldehydeMol. Formula:
C11H8OSM.W.:
188.25Type:
Small moleculeAlogP:
3.23Polar Surface Area:
17.07HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
58.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
3.06Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
2.72Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.72Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.41Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS
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