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ALA5287696 Name:
(S)-1-(3-fluorophenyl)-1-(1-((phenylthio)methyl)-1
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Mol. Formula:
C17H16FN3OS
M.W.:
329.40
Type:
---
AlogP:
3.42
Polar Surface Area:
50.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5284067 Name:
1-((2R,4S,5S)-4-(4-((8R,9S,13S,14S,17S)-3,17-dihyd
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Mol. Formula:
C30H37N5O6
M.W.:
563.66
Type:
---
AlogP:
2.41
Polar Surface Area:
155.49
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5283210 Name:
(3R,4S,5S,6R)-2-(4-((S)-1-(3-fluorophenyl)-1-hydro
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Mol. Formula:
C16H20FN3O6
M.W.:
369.35
Type:
---
AlogP:
-1.35
Polar Surface Area:
141.09
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5281286 Name:
(4-(4-(4-(isobutylamino)-N-(naphthalen-2-ylmethyl)
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Mol. Formula:
C47H54N4O5
M.W.:
754.97
Type:
---
AlogP:
9.68
Polar Surface Area:
119.05
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5279985 Name:
ethyl 3'-(2-hydroxyphenyl)-2-oxo-1'-(piperidine-1-
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Mol. Formula:
C26H29N3O5
M.W.:
463.53
Type:
---
AlogP:
3.42
Polar Surface Area:
99.18
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5279138 Name:
4-(2,4-difluorophenyl)-1-((phenylthio)methyl)-1H-1
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Mol. Formula:
C15H11F2N3S
M.W.:
303.34
Type:
---
AlogP:
3.97
Polar Surface Area:
30.71
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4791190 Name:
NA
Mol. Formula:
C36H35Cl2FN6O2
M.W.:
673.62
Type:
Unknown
AlogP:
6.87
Polar Surface Area:
82.84
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4789769 Name:
rac-(3S,3'S,4'S,5'S)-6-chloro-3'-(3-chlorophenyl)-
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Mol. Formula:
C21H17Cl2N5O3
M.W.:
458.31
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
112.95
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4782226 Name:
4-(((2'S,3'S,4'S,5'S)-6-chloro-3'-(3-chloro-2-fluo
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Mol. Formula:
C30H28Cl2FN3O3
M.W.:
568.48
Type:
Unknown
AlogP:
6.03
Polar Surface Area:
81.67
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5282600 Name:
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-
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Mol. Formula:
C28H26N4O5
M.W.:
498.54
Type:
---
AlogP:
3.53
Polar Surface Area:
126.57
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4756922 Name:
Rac-(3S,3'S,4'S,5'S)-4'-amino-6-chloro-3'-(3-chlor
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Mol. Formula:
C27H26Cl2FN3O2
M.W.:
514.43
Type:
Unknown
AlogP:
5.69
Polar Surface Area:
67.59
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4776839 Name:
4-((2'S,3'S,3a'S,5'R,6a'S)-6-chloro-3'-(3-chloro-2
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Mol. Formula:
C30H26Cl2FN3O3
M.W.:
566.46
Type:
Unknown
AlogP:
5.96
Polar Surface Area:
81.67
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4776003 Name:
rac-(3S,3'S,4'S,5'S)-5'-benzyl-6-chloro-3'-(3-chlo
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Mol. Formula:
C24H19Cl2N3O3
M.W.:
468.34
Type:
Unknown
AlogP:
4.78
Polar Surface Area:
84.27
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5277151 Name:
N-((3S,4R,5R,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)
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Mol. Formula:
C37H36F2N4O5
M.W.:
654.71
Type:
---
AlogP:
6.01
Polar Surface Area:
96.73
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5276807 Name:
3'-(2-hydroxyphenyl)-2-oxo-1'-(piperidine-1-carbon
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Mol. Formula:
C24H26N4O4
M.W.:
434.50
Type:
---
AlogP:
2.35
Polar Surface Area:
115.97
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5276426 Name:
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-
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Mol. Formula:
C26H22N4O4
M.W.:
454.49
Type:
---
AlogP:
3.94
Polar Surface Area:
106.34
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5275568 Name:
(3-(2-(1H-indol-3-yl)ethoxy)-4-((S)-2-amino-3-phen
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Mol. Formula:
C32H36N4O5
M.W.:
556.66
Type:
---
AlogP:
4.53
Polar Surface Area:
146.54
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5272028 Name:
(3R,4S,5S,6R)-2-(4-(2,4-difluorophenyl)-1H-1,2,3-t
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Mol. Formula:
C14H15F2N3O5
M.W.:
343.29
Type:
---
AlogP:
-0.80
Polar Surface Area:
120.86
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5270818 Name:
(S)-(4-(2-(4-amino-3-(benzyloxy)benzamido)-3-pheny
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Mol. Formula:
C35H36N4O7
M.W.:
624.69
Type:
---
AlogP:
4.43
Polar Surface Area:
169.08
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5268205 Name:
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-
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Mol. Formula:
C26H20F2N4O4
M.W.:
490.47
Type:
---
AlogP:
4.22
Polar Surface Area:
106.34
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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