Type:
Small moleculeAlogP:
5.20Polar Surface Area:
86.99HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
Small moleculeAlogP:
0.65Polar Surface Area:
124.76HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
---AlogP:
4.95Polar Surface Area:
72.45HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
---AlogP:
4.12Polar Surface Area:
80.29HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
---AlogP:
4.52Polar Surface Area:
102.03HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS-
Type:
---AlogP:
4.27Polar Surface Area:
58.89HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
UnknownAlogP:
3.00Polar Surface Area:
103.16HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
UnknownAlogP:
2.48Polar Surface Area:
103.16HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
2.70Polar Surface Area:
103.16HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
2.79Polar Surface Area:
103.16HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.29Polar Surface Area:
68.76HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.65Polar Surface Area:
38.05HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
2.98Polar Surface Area:
68.76HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4211723
Name:
(1,3-Diphenyl-1H-pyrazol-4-yl)methanolCas Number:
40278-32-8Mol. Formula:
C16H14N2OM.W.:
250.30Type:
Small moleculeAlogP:
3.03Polar Surface Area:
38.05HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
4.34Polar Surface Area:
38.05HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.98Polar Surface Area:
68.76HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4205958
Name:
(3-phenyl-1-p-tolyl-1H-pyrazol-4-yl)methanolCas Number:
618441-58-0Mol. Formula:
C17H16N2OM.W.:
264.33Type:
Small moleculeAlogP:
3.34Polar Surface Area:
38.05HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.98Polar Surface Area:
68.76HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
7.85Polar Surface Area:
104.06HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
7.09Polar Surface Area:
104.06HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.15DETAILS
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