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ALA3559475 Name:
2-Amino-1-dodecyl-3-(3-phenyl-propyl)-3H-benzoimid
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Mol. Formula:
C30H43N3O4
M.W.:
509.69
Type:
Small molecule
AlogP:
7.06
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA3559474 Name:
2-Amino-1-dodecyl-3-(4-methyl-benzyl)-3H-benzoimid
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Mol. Formula:
C29H41N3O4
M.W.:
495.66
Type:
Small molecule
AlogP:
6.79
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3559473 Name:
2-Amino-3-(4-chloro-benzyl)-1-dodecyl-3H-benzoimid
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Mol. Formula:
C28H38ClN3O4
M.W.:
516.08
Type:
Small molecule
AlogP:
7.13
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA3559472 Name:
3-[8-(2-amino-1-benzyl-1H-benzo[d]imidazol-3-ium-3
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Mol. Formula:
C38H42N6O4
M.W.:
646.79
Type:
Small molecule
AlogP:
6.47
Polar Surface Area:
69.66
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3559471 Name:
2-Amino-3-benzyl-1-dodecyl-3H-benzoimidazol-1-ium
Mol. Formula:
C28H39N3O4
M.W.:
481.64
Type:
Small molecule
AlogP:
6.48
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA3559470 Name:
2-Amino-3-benzyl-1-(5-bromo-pentyl)-3H-benzoimidaz
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Mol. Formula:
C21H24BrN3O4
M.W.:
462.34
Type:
Small molecule
AlogP:
4.12
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3559469 Name:
3-[5-(2-amino-1-benzyl-1H-benzo[d]imidazol-3-ium-3
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Mol. Formula:
C35H36N6O4
M.W.:
604.71
Type:
Small molecule
AlogP:
5.30
Polar Surface Area:
69.66
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3559468 Name:
2-Amino-3-benzyl-1-carboxymethyl-3H-benzoimidazol-
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Mol. Formula:
C16H15N3O2
M.W.:
281.32
Type:
Small molecule
AlogP:
0.31
Polar Surface Area:
74.96
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3559467 Name:
2-Amino-1-dodecyl-3-(4-methoxy-benzyl)-3H-benzoimi
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Mol. Formula:
C29H41N3O5
M.W.:
511.66
Type:
Small molecule
AlogP:
6.49
Polar Surface Area:
44.06
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3559466 Name:
2-Amino-3-benzyl-1-pentyl-3H-benzoimidazol-1-ium
Mol. Formula:
C21H25N3O4
M.W.:
383.45
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3559465 Name:
2-Amino-1-dodecyl-3-phenethyl-3H-benzoimidazol-1-i
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Mol. Formula:
C29H41N3O4
M.W.:
495.66
Type:
Small molecule
AlogP:
6.67
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA3559464 Name:
2-Amino-1,3-dibenzyl-3H-benzoimidazol-1-ium
Mol. Formula:
C23H21N3O4
M.W.:
403.44
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3559463 Name:
2-Amino-3-benzyl-1-[5-(4-phenyl-piperazin-1-yl)-pe
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Mol. Formula:
C31H37N5O4
M.W.:
543.67
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
41.31
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3559462 Name:
2-Amino-3-benzyl-1-propyl-3H-benzoimidazol-1-ium
Mol. Formula:
C19H21N3O4
M.W.:
355.39
Type:
Small molecule
AlogP:
2.97
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3559461 Name:
2-Amino-3-benzyl-1-octyl-3H-benzoimidazol-1-ium
Mol. Formula:
C24H31N3O4
M.W.:
425.53
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3559460 Name:
2-Amino-3-benzyl-1-(3-phenyl-propyl)-3H-benzoimida
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Mol. Formula:
C25H25N3O4
M.W.:
431.49
Type:
Small molecule
AlogP:
4.19
Polar Surface Area:
34.83
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3559459 Name:
2-Amino-3-benzyl-1-phenylcarbamoylmethyl-3H-benzoi
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Mol. Formula:
C24H22N4O5
M.W.:
446.46
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
63.93
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3559458 Name:
2-Amino-3-benzyl-1-(3-hydroxy-propyl)-3H-benzoimid
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Mol. Formula:
C19H21N3O5
M.W.:
371.39
Type:
Small molecule
AlogP:
1.94
Polar Surface Area:
55.06
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3559457 Name:
2-Amino-1-(11-amino-undecyl)-3-benzyl-3H-benzoimid
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Mol. Formula:
C27H38N4O4
M.W.:
482.63
Type:
Small molecule
AlogP:
5.03
Polar Surface Area:
60.85
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3559456 Name:
2-Amino-3-benzyl-1-(5-carbamoyl-pentyl)-3H-benzoim
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Mol. Formula:
C22H26N4O5
M.W.:
426.47
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
77.92
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
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