Type:
---AlogP:
5.90Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
---AlogP:
5.79Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
---AlogP:
5.90Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
---AlogP:
5.79Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS
Type:
Small moleculeAlogP:
2.83Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS-
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
---AlogP:
5.79Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
5.79Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
---AlogP:
5.90Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
---AlogP:
5.90Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4105086
Name:
(-)-(10E,15S)-6-chloro-10(11)-dehydrocurvularinMol. Formula:
C16H17ClO5M.W.:
324.76Type:
Small moleculeAlogP:
3.15Polar Surface Area:
83.83HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.72Polar Surface Area:
51.22HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA3581765
Name:
2-(4-(4-Fluorobenzyloxy)phenyl)acetonitrileCas Number:
1016535-83-3Mol. Formula:
C15H12FNOM.W.:
241.26Type:
Small moleculeAlogP:
3.47Polar Surface Area:
33.02HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
3.43Polar Surface Area:
61.04HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.33Polar Surface Area:
94.95HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
4.44Polar Surface Area:
51.81HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.43Polar Surface Area:
61.04HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.33Polar Surface Area:
94.95HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
3.73Polar Surface Area:
51.81HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS
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