ALA5269691Name:
4-(1-benzyl-5-chloro-1H-benzo[d]imidazol-2-yl)-N-(4-hydroxyphenyl)benzamideMol. Formula:
C27H20ClN3O2M.W.:
453.93Type:
---AlogP:
6.36Polar Surface Area:
67.15HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS
Type:
---AlogP:
6.27Polar Surface Area:
77.99HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
---AlogP:
4.93Polar Surface Area:
82.62HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
---AlogP:
6.60Polar Surface Area:
64.60HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
---AlogP:
4.06Polar Surface Area:
112.12HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS- ALA5202629
Name:
Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-beta-D-talopyranosideMol. Formula:
C22H23NO10M.W.:
461.42Type:
---AlogP:
1.38Polar Surface Area:
154.66HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA5195652
Name:
Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-beta-D-talopyranosideMol. Formula:
C22H22ClNO10M.W.:
495.87Type:
---AlogP:
2.03Polar Surface Area:
154.66HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
---AlogP:
2.40Polar Surface Area:
154.66HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA5189715
Name:
Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-beta-D-talopyranosideMol. Formula:
C22H22FNO10M.W.:
479.41Type:
---AlogP:
1.52Polar Surface Area:
154.66HBA:
10HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
UnknownAlogP:
-5.40Polar Surface Area:
189.53HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA4873628
Name:
3-O-[(5-carboxy-1-methyl-1H-benzo[d]imidazol-2-yl)-methyl]-D-galactalMol. Formula:
C16H18N2O6M.W.:
334.33Type:
UnknownAlogP:
0.42Polar Surface Area:
114.04HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
-7.29Polar Surface Area:
286.42HBA:
16HBD:
11#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
UnknownAlogP:
0.90Polar Surface Area:
103.04HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
2.10Polar Surface Area:
58.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
UnknownAlogP:
-5.25Polar Surface Area:
198.40HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA4860496
Name:
3-O-[(7-Carboxy-quinolin-2-yl)-methyl]-D-galactalMol. Formula:
C17H17NO6M.W.:
331.32Type:
UnknownAlogP:
1.08Polar Surface Area:
109.11HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
-5.25Polar Surface Area:
198.40HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
UnknownAlogP:
-5.25Polar Surface Area:
198.40HBA:
11HBD:
8#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA4850222
Name:
3-O-[(6-carboxy-1-methyl-1H-benzo[d]imidazol-2-yl)-methyl]-D-galactalMol. Formula:
C16H18N2O6M.W.:
334.33Type:
UnknownAlogP:
0.42Polar Surface Area:
114.04HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
0.51Polar Surface Area:
103.04HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS
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