ALA4648760Name:
N-(4-(2-(4-bromophenyl)-1H-benzo[d]imidazol-1-yl)phenyl)acetamideMol. Formula:
C21H16BrN3OM.W.:
406.28Type:
UnknownAlogP:
5.41Polar Surface Area:
46.92HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA4648464Name:
N-(4-(2-(4-chlorophenyl)-1H-benzo[d]imidazol-1-yl)phenyl)acetamideMol. Formula:
C21H16ClN3OM.W.:
361.83Type:
UnknownAlogP:
5.30Polar Surface Area:
46.92HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA4648287Name:
4-(1-(4-nitrophenyl)-1H-benzo[d]imidazol-2-yl)benzoateMol. Formula:
C20H13N3O4M.W.:
359.34Type:
UnknownAlogP:
4.30Polar Surface Area:
98.26HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA4634648Name:
N,N'-((1H-benzo[d]imidazole-1,2-diyl)bis(4,1-phenylene))diacetamideMol. Formula:
C23H20N4O2M.W.:
384.44Type:
UnknownAlogP:
4.61Polar Surface Area:
76.02HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
4.41Polar Surface Area:
61.69HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.55DETAILS- ALA2057745
Name:
6-Chloro-3-hydroxy-N'-(propan-2-ylidene)benzo[b]thiophene-2-carbohydrazideMol. Formula:
C12H11ClN2O2SM.W.:
282.75Type:
Small moleculeAlogP:
3.39Polar Surface Area:
61.69HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA2057744
Name:
3-hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acidMol. Formula:
C9H7NO3SM.W.:
209.23Type:
Small moleculeAlogP:
2.01Polar Surface Area:
70.42HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
1.70Polar Surface Area:
70.42HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
2.52Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA2057741
Name:
7-chloro-3-hydroxybenzo[b]thiophene-2-carboxylic acidMol. Formula:
C9H5ClO3SM.W.:
228.66Type:
Small moleculeAlogP:
2.96Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.79DETAILS - ALA2057740
Name:
6-Chloro-3-hydroxybenzo[b]thiophene-2-carboxylic acidMol. Formula:
C9H5ClO3SM.W.:
228.66Type:
Small moleculeAlogP:
2.96Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.79DETAILS - ALA2057739
Name:
3-hydroxy-7-methoxybenzo[b]thiophene-2-carboxylic acidMol. Formula:
C10H8O4SM.W.:
224.24Type:
Small moleculeAlogP:
2.31Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS - Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate
Name:
methyl 3-hydroxybenzo[b]thiophene-2-carboxylateMol. Formula:
C10H8O3SM.W.:
208.24Type:
Small moleculeAlogP:
2.39Polar Surface Area:
46.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
109.36HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA462878
Name:
5-hydroxy-7,4',5'-trimethoxyisoflavone 3'-O-beta-D-glucosideMol. Formula:
C23H24O12M.W.:
492.43Type:
Small moleculeAlogP:
0.07Polar Surface Area:
188.51HBA:
12HBD:
6#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
2.76Polar Surface Area:
99.98HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.52Polar Surface Area:
73.96HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.25Polar Surface Area:
90.87HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
4.01Polar Surface Area:
64.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA489899
Name:
4,5-Bis(4-methoxyphenyl)-3H-1,2-dithiole-3-thioneMol. Formula:
C17H14O2S3M.W.:
346.50Type:
Small moleculeAlogP:
5.89Polar Surface Area:
18.46HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
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