ALA3885468Name:
2-((5-(naphthalen-2-yl)benzo[b]thiophen-2-yl)methylamino)acetic acidMol. Formula:
C21H17NO2SM.W.:
347.44Type:
Small moleculeAlogP:
4.90Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA3885331Name:
4-((4-(naphthalen-2-yl)benzo[b]thiophen-2-yl)methylamino)butanoic acidMol. Formula:
C23H21NO2SM.W.:
375.49Type:
Small moleculeAlogP:
5.68Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS
ALA3885275Name:
2-((7-(naphthalen-2-yl)benzo[b]thiophen-2-yl)methylamino)acetic acidMol. Formula:
C21H17NO2SM.W.:
347.44Type:
Small moleculeAlogP:
4.90Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
5.53Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
4.22Polar Surface Area:
75.35HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS-
Type:
Small moleculeAlogP:
5.24Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
6.96Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
6.96Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
5.53Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - 4-({[7-(naphthalen-2-yl)-1-benzothiophen-2-yl]methyl}amino)butanoic acid
Name:
4-((7-(naphthalen-2-yl)benzo[b]thiophen-2-yl)methylamino)butanoic acidMol. Formula:
C23H21NO2SM.W.:
375.49Type:
Small moleculeAlogP:
5.68Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
6.71Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
6.96Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA3883812
Name:
3-((4-(naphthalen-2-yl)benzo[b]thiophen-2-yl)methylamino)propanoic acidMol. Formula:
C22H19NO2SM.W.:
361.47Type:
Small moleculeAlogP:
5.29Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
6.71Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
6.96Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
5.24Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA3883572
Name:
5-((4-(naphthalen-2-yl)benzo[b]thiophen-2-yl)methylamino)pentanoic acidMol. Formula:
C24H23NO2SM.W.:
389.52Type:
Small moleculeAlogP:
6.07Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA3883555
Name:
5-((7-(naphthalen-2-yl)benzo[b]thiophen-2-yl)methylamino)pentanoic acidMol. Formula:
C24H23NO2SM.W.:
389.52Type:
Small moleculeAlogP:
6.07Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
4.22Polar Surface Area:
75.35HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA3883456
Name:
3-((7-(naphthalen-2-yl)benzo[b]thiophen-2-yl)methylamino)propanoic acidMol. Formula:
C22H19NO2SM.W.:
361.47Type:
Small moleculeAlogP:
5.29Polar Surface Area:
49.33HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS
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