ALA3559475Name:
2-Amino-1-dodecyl-3-(3-phenyl-propyl)-3H-benzoimidazol-1-iumMol. Formula:
C30H43N3O4M.W.:
509.69Type:
Small moleculeAlogP:
7.06Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.21DETAILS
ALA3559474Name:
2-Amino-1-dodecyl-3-(4-methyl-benzyl)-3H-benzoimidazol-1-iumMol. Formula:
C29H41N3O4M.W.:
495.66Type:
Small moleculeAlogP:
6.79Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.25DETAILS
ALA3559473Name:
2-Amino-3-(4-chloro-benzyl)-1-dodecyl-3H-benzoimidazol-1-iumMol. Formula:
C28H38ClN3O4M.W.:
516.08Type:
Small moleculeAlogP:
7.13Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
Small moleculeAlogP:
6.47Polar Surface Area:
69.66HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.13DETAILS
ALA3559471Name:
2-Amino-3-benzyl-1-dodecyl-3H-benzoimidazol-1-iumMol. Formula:
C28H39N3O4M.W.:
481.64Type:
Small moleculeAlogP:
6.48Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.26DETAILS- ALA3559470
Name:
2-Amino-3-benzyl-1-(5-bromo-pentyl)-3H-benzoimidazol-1-iumMol. Formula:
C21H24BrN3O4M.W.:
462.34Type:
Small moleculeAlogP:
4.12Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
5.30Polar Surface Area:
69.66HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA3559468
Name:
2-Amino-3-benzyl-1-carboxymethyl-3H-benzoimidazol-1-iumMol. Formula:
C16H15N3O2M.W.:
281.32Type:
Small moleculeAlogP:
0.31Polar Surface Area:
74.96HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA3559467
Name:
2-Amino-1-dodecyl-3-(4-methoxy-benzyl)-3H-benzoimidazol-1-iumMol. Formula:
C29H41N3O5M.W.:
511.66Type:
Small moleculeAlogP:
6.49Polar Surface Area:
44.06HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA3559466
Name:
2-Amino-3-benzyl-1-pentyl-3H-benzoimidazol-1-iumMol. Formula:
C21H25N3O4M.W.:
383.45Type:
Small moleculeAlogP:
3.75Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA3559465
Name:
2-Amino-1-dodecyl-3-phenethyl-3H-benzoimidazol-1-iumMol. Formula:
C29H41N3O4M.W.:
495.66Type:
Small moleculeAlogP:
6.67Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
3.61Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.55Polar Surface Area:
41.31HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA3559462
Name:
2-Amino-3-benzyl-1-propyl-3H-benzoimidazol-1-iumMol. Formula:
C19H21N3O4M.W.:
355.39Type:
Small moleculeAlogP:
2.97Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3559461
Name:
2-Amino-3-benzyl-1-octyl-3H-benzoimidazol-1-iumMol. Formula:
C24H31N3O4M.W.:
425.53Type:
Small moleculeAlogP:
4.92Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA3559460
Name:
2-Amino-3-benzyl-1-(3-phenyl-propyl)-3H-benzoimidazol-1-iumMol. Formula:
C25H25N3O4M.W.:
431.49Type:
Small moleculeAlogP:
4.19Polar Surface Area:
34.83HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA3559459
Name:
2-Amino-3-benzyl-1-phenylcarbamoylmethyl-3H-benzoimidazol-1-iumMol. Formula:
C24H22N4O5M.W.:
446.46Type:
Small moleculeAlogP:
3.20Polar Surface Area:
63.93HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA3559458
Name:
2-Amino-3-benzyl-1-(3-hydroxy-propyl)-3H-benzoimidazol-1-iumMol. Formula:
C19H21N3O5M.W.:
371.39Type:
Small moleculeAlogP:
1.94Polar Surface Area:
55.06HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA3559457
Name:
2-Amino-1-(11-amino-undecyl)-3-benzyl-3H-benzoimidazol-1-iumMol. Formula:
C27H38N4O4M.W.:
482.63Type:
Small moleculeAlogP:
5.03Polar Surface Area:
60.85HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA3559456
Name:
2-Amino-3-benzyl-1-(5-carbamoyl-pentyl)-3H-benzoimidazol-1-iumMol. Formula:
C22H26N4O5M.W.:
426.47Type:
Small moleculeAlogP:
2.61Polar Surface Area:
77.92HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.49DETAILS
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