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ALA4474444 Name:
N-((S)-3-(4-hydroxy-3,5-diiodophenyl)-1-oxo-1-((S)
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Mol. Formula:
C31H33I2N3O6S
M.W.:
829.50
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
125.04
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4533469 Name:
N-((2S,3S)-3-(ethoxycarbonyl)oxirane-2-carbonyl)-i
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Cas Number:
134447-97-5
Mol. Formula:
C17H26N2O7
M.W.:
370.40
Type:
Unknown
AlogP:
-0.08
Polar Surface Area:
125.54
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4566711 Name:
(S)-1-((S)-2-((2S,3S)-3-(ethoxycarbonyl)oxirane-2-
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Mol. Formula:
C17H26N2O7
M.W.:
370.40
Type:
Unknown
AlogP:
-0.08
Polar Surface Area:
125.54
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4744431 Name:
(2S)-N-[(1R,2R)-2-(benzyloxy)-1-cyanopropyl]-2-[(3
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Mol. Formula:
C27H25BrClN3O3
M.W.:
554.87
Type:
Unknown
AlogP:
5.06
Polar Surface Area:
91.22
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4743577 Name:
(Biphenyl-3-yl)sulfonyl-(S)-phenylalanyl-aminocycl
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Mol. Formula:
C25H23N3O3S
M.W.:
445.54
Type:
Unknown
AlogP:
3.42
Polar Surface Area:
99.06
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4742887 Name:
(S)-2-(2-([1,1'-biphenyl]-4-yl)acetamido)-N-((1R,2
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Mol. Formula:
C34H32BrN3O3
M.W.:
610.55
Type:
Unknown
AlogP:
6.00
Polar Surface Area:
91.22
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4741290 Name:
N-((S)-1-(((1R,2R)-2-(benzyloxy)-1-cyanopropyl)ami
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Mol. Formula:
C32H29BrN4O3
M.W.:
597.51
Type:
Unknown
AlogP:
5.47
Polar Surface Area:
104.11
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4765197 Name:
N-((S)-1-(((1R,2R)-2-(benzyloxy)-1-cyanopropyl)ami
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Mol. Formula:
C33H30BrN3O3
M.W.:
596.53
Type:
Unknown
AlogP:
6.07
Polar Surface Area:
91.22
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4763197 Name:
(Biphenyl-3-yl)sulfonyl-(S)-leucyl-aminocyclopropa
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Mol. Formula:
C22H25N3O3S
M.W.:
411.53
Type:
Unknown
AlogP:
3.22
Polar Surface Area:
99.06
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4762161 Name:
(2S)-N-[(1R,2R)-2-(benzyloxy)-1-cyanopropyl]-2-({[
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Mol. Formula:
C33H30ClN3O3
M.W.:
552.07
Type:
Unknown
AlogP:
5.96
Polar Surface Area:
91.22
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4762158 Name:
(Biphenyl-3-yl)sulfonyl-(R)-leucyl-aminocyclopropa
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Mol. Formula:
C22H25N3O3S
M.W.:
411.53
Type:
Unknown
AlogP:
3.22
Polar Surface Area:
99.06
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4761912 Name:
3-Chlorophenylsulfonyl-(S)-leucyl-phenylalanine-ni
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Mol. Formula:
C21H24ClN3O3S
M.W.:
433.96
Type:
Unknown
AlogP:
3.28
Polar Surface Area:
99.06
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4760449 Name:
3-Chlorophenylsulfonyl-(S)-phenylalanyl-aminocyclo
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Mol. Formula:
C19H18ClN3O3S
M.W.:
403.89
Type:
Unknown
AlogP:
2.40
Polar Surface Area:
99.06
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4760236 Name:
N-((S)-1-(((1R,2R)-2-(benzyloxy)-1-cyanopropyl)ami
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Mol. Formula:
C31H28ClN5O3
M.W.:
554.05
Type:
Unknown
AlogP:
4.75
Polar Surface Area:
117.00
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4758951 Name:
(S)-2-([1,1'-biphenyl]-3-ylsulfonamido)-N-((1R,2R)
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Mol. Formula:
C32H30ClN3O4S
M.W.:
588.13
Type:
Unknown
AlogP:
5.51
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4758783 Name:
N-((S)-1-(((1R,2R)-2-(benzyloxy)-1-cyanopropyl)ami
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Mol. Formula:
C31H28ClN5O3
M.W.:
554.05
Type:
Unknown
AlogP:
4.75
Polar Surface Area:
117.00
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4757831 Name:
N-((S)-1-(((1R,2R)-2-(benzyloxy)-1-cyanopropyl)ami
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Mol. Formula:
C27H25BrClN3O3
M.W.:
554.87
Type:
Unknown
AlogP:
5.06
Polar Surface Area:
91.22
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4755695 Name:
(Biphenyl-4-yl)sulfonyl-(S)-leucyl-phenylalanine-n
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Mol. Formula:
C27H29N3O3S
M.W.:
475.61
Type:
Unknown
AlogP:
4.30
Polar Surface Area:
99.06
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4578629 Name:
(S)-1-((S)-4-methyl-2-((2R,3R)-3-(propylcarbamoyl)
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Mol. Formula:
C18H29N3O6
M.W.:
383.45
Type:
Unknown
AlogP:
-0.11
Polar Surface Area:
128.34
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4780230 Name:
(2S)-N-[(1R,2R)-2-(benzyloxy)-1-cyanopropyl]-2-{[1
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Mol. Formula:
C32H30ClN3O4S
M.W.:
588.13
Type:
Unknown
AlogP:
5.51
Polar Surface Area:
108.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
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