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ALA4871159 Name:
benzyl 4-(2-aminocyclopropyl)phenylcarbamate hydro
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Mol. Formula:
C17H19ClN2O2
M.W.:
318.80
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
64.35
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA5281376 Name:
N-(4-[(1S,2R)/(1R,2S)-2-[(Cyclopropylmethyl)amino)
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Mol. Formula:
C19H20FN3O
M.W.:
325.39
Type:
---
AlogP:
3.33
Polar Surface Area:
54.02
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5281080 Name:
Polymyxin B
Mol. Formula:
C55H96N16O13
M.W.:
1189.47
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5280566 Name:
4-[(1S,2R)/(1R,2S)-2-[(Cyclopropylmethyl)amino)cyc
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Mol. Formula:
C21H24FN3O
M.W.:
353.44
Type:
---
AlogP:
3.66
Polar Surface Area:
45.23
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5291155 Name:
4-[(1S,2R)/(1R,2S)-2-[(Cyclopropylmethyl)amino)cyc
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Mol. Formula:
C21H24FN3O
M.W.:
353.44
Type:
---
AlogP:
3.66
Polar Surface Area:
45.23
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA5287743 Name:
(S)-2-((S)-2-((S)-2-((S)-4-amino-2-((S)-1-((S)-6-a
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Mol. Formula:
C105H167N33O31
M.W.:
2387.69
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4848459 Name:
benzyl 4-(4-(2-aminocyclopropyl)phenylcarbamoyl)ph
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Mol. Formula:
C24H23N3O3
M.W.:
401.47
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
93.45
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3735659 Name:
trans-N-(4-(2-aminocyclopropyl)phenyl)-1-(2-(benzy
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Mol. Formula:
C27H27ClN4O2
M.W.:
474.99
Type:
Small molecule
AlogP:
4.02
Polar Surface Area:
89.15
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA3735166 Name:
trans-N-(4-(2-aminocyclopropyl)phenyl)-1-(2-oxo-2-
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Mol. Formula:
C26H25ClN4O2
M.W.:
460.97
Type:
Small molecule
AlogP:
4.35
Polar Surface Area:
89.15
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3735850 Name:
trans-N-(4-(2-aminocyclopropyl)phenyl)-1-(2-oxo-2-
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Mol. Formula:
C26H24ClN3O2
M.W.:
445.95
Type:
Small molecule
AlogP:
4.59
Polar Surface Area:
77.12
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3734791 Name:
trans-N-(4-(2-aminocyclopropyl)phenyl)-1H-indole-2
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Mol. Formula:
C18H18ClN3O
M.W.:
327.82
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
70.91
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3736118 Name:
trans-N-(4-(2-aminocyclopropyl)phenyl)-1-(2-(benzy
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Mol. Formula:
C23H25ClN4O2
M.W.:
424.93
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
89.15
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3735264 Name:
trans-N-(4-(2-aminocyclopropyl)phenyl)-1-(2-oxo-2-
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Mol. Formula:
C22H23ClN4O2
M.W.:
410.91
Type:
Small molecule
AlogP:
3.19
Polar Surface Area:
89.15
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3736450 Name:
trans-N-(4-(2-aminocyclopropyl)phenyl)-1-(2-oxo-2-
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Mol. Formula:
C22H22ClN3O2
M.W.:
395.89
Type:
Small molecule
AlogP:
3.44
Polar Surface Area:
77.12
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3735379 Name:
trans-benzyl (2-(4-(2-aminocyclopropyl)phenyl)amin
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Mol. Formula:
C19H22ClN3O3
M.W.:
375.86
Type:
Small molecule
AlogP:
2.37
Polar Surface Area:
93.45
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3736172 Name:
trans-benzyl 2-((4-((2-aminocyclopropyl)phenyl)car
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Mol. Formula:
C22H26ClN3O3
M.W.:
415.92
Type:
Small molecule
AlogP:
3.24
Polar Surface Area:
84.66
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3736382 Name:
trans-benzyl 1-(4-(2-aminocyclopropyl)phenylamino)
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Mol. Formula:
C26H28ClN3O3
M.W.:
465.98
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
93.45
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4548094 Name:
N5-(2-(4-bromo-2-(trifluoromethyl)phenoxy)-benzyl)
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Mol. Formula:
C16H13BrF3N5O
M.W.:
428.21
Type:
Unknown
AlogP:
4.57
Polar Surface Area:
88.85
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4550833 Name:
N5-(2-chloro-6-(2-ethoxy-4-methylphenoxy)-benzyl)-
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Mol. Formula:
C18H20ClN5O2
M.W.:
373.84
Type:
Unknown
AlogP:
4.15
Polar Surface Area:
98.08
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4549812 Name:
N5-(2-chloro-6-(naphthalen-2-yloxy)benzyl)-1H-1,2,
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Mol. Formula:
C19H16ClN5O
M.W.:
365.82
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
88.85
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
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