Type:
UnknownAlogP:
5.42Polar Surface Area:
147.31HBA:
4HBD:
6#RO5 Violations:
3#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.12DETAILS
Type:
Small moleculeAlogP:
6.88Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
Small moleculeAlogP:
4.04Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
Small moleculeAlogP:
3.74Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS-
Type:
Small moleculeAlogP:
3.73Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
4.05Polar Surface Area:
64.99HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
85.83HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.97Polar Surface Area:
67.37HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
3.67Polar Surface Area:
78.37HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
3.98Polar Surface Area:
76.60HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2413468
Name:
(E)-4-(3-(4-Methoxystyryl)-1H-pyrazol-5-yl)phenolMol. Formula:
C18H16N2O2M.W.:
292.34Type:
Small moleculeAlogP:
3.96Polar Surface Area:
58.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
69.14HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
3.67Polar Surface Area:
78.37HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
56.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2413464
Name:
(E)-3-(3,5-Dimethoxystyryl)-5-phenyl-1H-pyrazoleMol. Formula:
C19H18N2O2M.W.:
306.37Type:
Small moleculeAlogP:
4.26Polar Surface Area:
47.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.26Polar Surface Area:
37.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2413462
Name:
(E)-4-(2-(5-Phenyl-1H-pyrazol-3-yl)vinyl)phenolMol. Formula:
C17H14N2OM.W.:
262.31Type:
Small moleculeAlogP:
3.95Polar Surface Area:
48.91HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
3.96Polar Surface Area:
58.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS
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