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Type:
Unknown
AlogP:
4.97
Polar Surface Area:
84.43
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4877603 Name:
1-(3-(3-Chlorophenyl)-1H-pyrazol-4-yl)-1,4-diazepa
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Mol. Formula:
C14H17ClN4
M.W.:
276.77
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
43.95
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.89
DETAILS
CLOSE
ALA4876338 Name:
(R)-(3-(4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl
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Mol. Formula:
C24H23N7OS
M.W.:
457.56
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
88.83
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4875016 Name:
(R)-(3-(4-(2-(3-chlorophenyl)-4-cyclopropyl-1H-imi
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Mol. Formula:
C24H22ClN7OS
M.W.:
492.01
Type:
Unknown
AlogP:
4.64
Polar Surface Area:
88.83
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4874801 Name:
7-(3,5-Dimethylisoxazol-4-yl)-8-methoxy-N-(2-metho
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Mol. Formula:
C26H28N6O3
M.W.:
472.55
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
100.12
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4874790 Name:
7-(3,5-Dimethylisoxazol-4-yl)-8-methoxy-N-(2-metho
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Mol. Formula:
C25H26N6O3
M.W.:
458.52
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
100.12
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4874356 Name:
7-(3,5-Dimethylisoxazol-4-yl)-8-methoxy-N,N-dimeth
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Mol. Formula:
C24H29N5O3
M.W.:
435.53
Type:
Unknown
AlogP:
4.36
Polar Surface Area:
78.44
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4864983 Name:
(S)-2-(1-acryloylpiperidin-2-yl)-1-amino-4-(4-((4-
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Mol. Formula:
C25H24F3N7O3
M.W.:
527.51
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
149.23
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4863362 Name:
(7R,7'R,8R,8'R,9S,9'S,10R,10'R,13S,13'S,14S,14'S,1
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Mol. Formula:
C42H60O4
M.W.:
628.94
Type:
Unknown
AlogP:
8.56
Polar Surface Area:
74.60
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4863066 Name:
(7R,7'R,8R,8'R,9S,9'S,10R,10'R,13S,13'S,14S,14'S,1
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Mol. Formula:
C42H60O4
M.W.:
628.94
Type:
Unknown
AlogP:
8.56
Polar Surface Area:
74.60
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4857273 Name:
(R)-(3-(4-(4-methyl-2-phenyl-1H-imidazol-1-yl)pyri
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Mol. Formula:
C22H21N7OS
M.W.:
431.53
Type:
Unknown
AlogP:
3.42
Polar Surface Area:
88.83
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA1089957 Name:
((4S,5S)-5-((1S,2S)-3-benzamido-2-(benzo[d][1,3]di
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Mol. Formula:
C32H37NO10S
M.W.:
627.71
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
127.85
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA1091763 Name:
N-((2S,3S)-2-(benzo[d][1,3]dioxol-5-yl)-3-((4S,5S)
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Mol. Formula:
C25H31NO8
M.W.:
473.52
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
104.71
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1089300 Name:
tert-butyl(2S,3S)-2-(benzo[d][1,3]dioxol-5-yl)-3-(
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Mol. Formula:
C29H49NO9Si
M.W.:
583.80
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1089299 Name:
N-((2S,3S)-2-(benzo[d][1,3]dioxol-5-yl)-3-((4S,5S)
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Mol. Formula:
C31H45NO8Si
M.W.:
587.79
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1089703 Name:
(((4S,5S)-5-((1S,2S)-3-azido-2-(benzo[d][1,3]dioxo
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Mol. Formula:
C24H39N3O7Si
M.W.:
509.68
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1089702 Name:
(2S,3S)-2-(benzo[d][1,3]dioxol-5-yl)-3-((4S,5S)-5-
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Mol. Formula:
C24H40O8Si
M.W.:
484.66
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1090369 Name:
(2R,3S)-isopropyl 2-(benzo[d][1,3]dioxol-5-yl)-3-(
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Mol. Formula:
C25H40O8Si
M.W.:
496.67
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1080604 Name:
Bis-N-[(S)-2-(pyrazol-4-ylmethoxycarbonylamino)-3-
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Mol. Formula:
C30H37N7O4
M.W.:
559.67
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
137.26
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA1078218 Name:
Bis-N-[(S)-2-(pyridin-3-ylmethoxycarbonylamino)-3-
Show More⌵
Mol. Formula:
C34H39N5O4
M.W.:
581.72
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
105.68
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
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