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ALA5281613 Name:
(2S)-2-benzyl-N-[2-[[(1S,2R,3S)-1-(cyclohexylmethy
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Mol. Formula:
C35H55N5O6S2
M.W.:
705.99
Type:
---
AlogP:
2.83
Polar Surface Area:
152.17
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5288530 Name:
(2S,4S,5S)-5-[[(2S)-2-[[(2S)-2-acetamido-3-phenyl-
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Mol. Formula:
C36H60N4O5
M.W.:
628.90
Type:
---
AlogP:
4.80
Polar Surface Area:
136.63
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA1090982 Name:
3-(benzylamino)-2-(4-(3-(2-chloro-3,6-difluorophen
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Mol. Formula:
C36H35Cl3F2N2O2
M.W.:
672.04
Type:
Small molecule
AlogP:
9.08
Polar Surface Area:
41.57
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA1091040 Name:
2-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)benzy
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Mol. Formula:
C30H31Cl3F2N2O2
M.W.:
595.95
Type:
Small molecule
AlogP:
7.51
Polar Surface Area:
41.57
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1092757 Name:
5-amino-3-(4-(3-(2-chloro-3,6-difluorophenoxy)prop
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Mol. Formula:
C30H31Cl3F2N2O2
M.W.:
595.94
Type:
Small molecule
AlogP:
7.95
Polar Surface Area:
55.56
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1092756 Name:
(+/-)-3-amino-2-(4-(3-(2-chloro-3,6-difluorophenox
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Mol. Formula:
C29H29Cl3F2N2O2
M.W.:
581.92
Type:
Small molecule
AlogP:
7.25
Polar Surface Area:
55.56
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA1093936 Name:
4-((3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-
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Mol. Formula:
C33H40Cl3N3O4
M.W.:
649.06
Type:
Small molecule
AlogP:
6.49
Polar Surface Area:
91.73
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA1093935 Name:
3-amino-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-
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Mol. Formula:
C33H40Cl3N3O3
M.W.:
633.06
Type:
Small molecule
AlogP:
7.25
Polar Surface Area:
77.68
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA1092525 Name:
3-amino-N-(2-chloro-5-(3-hydroxypropyl)benzyl)-N-c
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Mol. Formula:
C33H39Cl3N2O3
M.W.:
618.04
Type:
Small molecule
AlogP:
7.20
Polar Surface Area:
75.79
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA1093934 Name:
(S)-3-amino-N-(2-chloro-5-(3-cyanopropyl)benzyl)-N
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Mol. Formula:
C34H38Cl3N3O2
M.W.:
627.06
Type:
Small molecule
AlogP:
8.12
Polar Surface Area:
79.35
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA1092524 Name:
3-amino-N-(2-chloro-5-(2-cyanoethyl)benzyl)-N-cycl
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Mol. Formula:
C33H36Cl3N3O2
M.W.:
613.03
Type:
Small molecule
AlogP:
7.73
Polar Surface Area:
79.35
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA1093290 Name:
3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-meth
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Mol. Formula:
C34H40Cl4N2O3
M.W.:
666.52
Type:
Small molecule
AlogP:
8.51
Polar Surface Area:
64.79
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1093289 Name:
3-amino-N-(2-chloro-5-(3-(dimethylamino)propyl)ben
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Mol. Formula:
C35H44Cl3N3O2
M.W.:
645.11
Type:
Small molecule
AlogP:
7.77
Polar Surface Area:
58.80
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1093288 Name:
3-amino-N-(2-chloro-5-((N-methylacetamido)methyl)b
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Mol. Formula:
C34H40Cl3N3O3
M.W.:
645.07
Type:
Small molecule
AlogP:
7.25
Polar Surface Area:
75.87
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA1092187 Name:
3-amino-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cy
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Mol. Formula:
C33H39Cl3N2O3
M.W.:
618.04
Type:
Small molecule
AlogP:
7.46
Polar Surface Area:
64.79
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA1093287 Name:
3-amino-N-(2-chloro-5-(2-methoxyethoxy)benzyl)-N-c
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Mol. Formula:
C33H39Cl3N2O4
M.W.:
634.04
Type:
Small molecule
AlogP:
7.30
Polar Surface Area:
74.02
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA1093286 Name:
(S)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)
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Mol. Formula:
C34H41Cl3N2O3
M.W.:
632.07
Type:
Small molecule
AlogP:
7.85
Polar Surface Area:
64.79
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1093285 Name:
(+/-)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzy
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Mol. Formula:
C34H41Cl3N2O3
M.W.:
632.07
Type:
Small molecule
AlogP:
7.85
Polar Surface Area:
64.79
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1092186 Name:
3-amino-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-meth
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Mol. Formula:
C30H32Cl4N2O2
M.W.:
594.41
Type:
Small molecule
AlogP:
7.93
Polar Surface Area:
55.56
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA1091852 Name:
3-amino-2-(4-(3-(2-chloro-3,6-difluorophenoxy)prop
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Mol. Formula:
C30H31Cl3F2N2O2
M.W.:
595.95
Type:
Small molecule
AlogP:
7.64
Polar Surface Area:
55.56
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
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