Type:
Small moleculeAlogP:
4.39Polar Surface Area:
110.17HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
4.97Polar Surface Area:
113.28HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
Small moleculeAlogP:
5.10Polar Surface Area:
110.17HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
6.02Polar Surface Area:
78.07HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
Small moleculeAlogP:
6.41Polar Surface Area:
78.07HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS-
Type:
Small moleculeAlogP:
5.41Polar Surface Area:
107.17HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
6.49Polar Surface Area:
78.07HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
7.13Polar Surface Area:
99.75HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
7.74Polar Surface Area:
96.09HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
7.11Polar Surface Area:
78.07HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
4.75Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA2334795
Name:
2,3-Dihydro-2-benzyl-5-(2-nitrobenzyl)-1,5-benzothiazepin-4(5H)-oneMol. Formula:
C23H20N2O3SM.W.:
404.49Type:
Small moleculeAlogP:
5.24Polar Surface Area:
63.45HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
2.44Polar Surface Area:
76.88HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
1.67Polar Surface Area:
111.10HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
2.74Polar Surface Area:
90.87HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.56Polar Surface Area:
86.55HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.01Polar Surface Area:
76.88HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.33Polar Surface Area:
76.88HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
2.78Polar Surface Area:
68.09HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA2207940
Name:
2,3-Dihydro-2-phenyl-5-(2-nitrobenzyl)-1,5-benzothiazepin-4(5H)-oneMol. Formula:
C22H18N2O3SM.W.:
390.46Type:
Small moleculeAlogP:
5.37Polar Surface Area:
63.45HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS
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