Type:
Small moleculeAlogP:
3.11Polar Surface Area:
128.38HBA:
5HBD:
4#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
Small moleculeAlogP:
4.07Polar Surface Area:
101.08HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
Small moleculeAlogP:
5.62Polar Surface Area:
108.93HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
Small moleculeAlogP:
2.54Polar Surface Area:
74.06HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
65.74HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS-
Type:
Small moleculeAlogP:
2.51Polar Surface Area:
34.89HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
1.92Polar Surface Area:
84.20HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
1.70Polar Surface Area:
113.65HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
2.89Polar Surface Area:
57.01HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
0.67Polar Surface Area:
103.34HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
4.33Polar Surface Area:
147.25HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
147.25HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
179.60HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
5.33Polar Surface Area:
162.44HBA:
7HBD:
5#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
5.15Polar Surface Area:
150.41HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
3.96Polar Surface Area:
96.90HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
4.14Polar Surface Area:
110.03HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
4.26Polar Surface Area:
121.31HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
4.05Polar Surface Area:
104.24HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA253430
Name:
5-methylsulfanyl-4-(2'-vinyl-biphenyl-3-sulfonyl)-thiophene-2-carboxamidineMol. Formula:
C20H18N2O2S3M.W.:
414.58Type:
Small moleculeAlogP:
4.90Polar Surface Area:
84.01HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS
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