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ALA2425584 Name:
(R)-5-chloro-N-(1-(4-chlorophenylamino)-1-oxo-3-ph
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Cas Number:
1227476-98-3
Mol. Formula:
C22H18Cl2N2O3
M.W.:
429.30
Type:
Small molecule
AlogP:
4.68
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2425562 Name:
(S)-N-(1-(4-bromophenylamino)-3-cyclohexyl-1-oxopr
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Mol. Formula:
C22H24BrClN2O3
M.W.:
479.80
Type:
Small molecule
AlogP:
5.52
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2425561 Name:
(S)-5-chloro-N-(3-cyclohexyl-1-oxo-1-(3-(trifluoro
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Mol. Formula:
C23H24ClF3N2O3
M.W.:
468.90
Type:
Small molecule
AlogP:
5.77
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2425560 Name:
(S)-5-chloro-2-hydroxy-N-(3-methyl-1-oxo-1-(4-(tri
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Mol. Formula:
C19H18ClF3N2O3
M.W.:
414.81
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2425559 Name:
(S)-5-chloro-N-(3,3-dimethyl-1-oxo-1-(3-(trifluoro
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Mol. Formula:
C20H20ClF3N2O3
M.W.:
428.84
Type:
Small molecule
AlogP:
4.85
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2403097 Name:
N2-(4-Aminocyclohexyl)-9-cyclopentyl-N6-(6-thiophe
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Mol. Formula:
C26H32N8S
M.W.:
488.67
Type:
Small molecule
AlogP:
5.36
Polar Surface Area:
106.57
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA2402949 Name:
(R)-2-(9-cyclopentyl-6-(4-(pyridin-2-yl)benzylamin
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Mol. Formula:
C26H31N7O
M.W.:
457.58
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
100.78
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA2282821 Name:
4-chloro-6-(chloromethyl)-1-phenyl-1H-pyrazolo[3,4
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Cas Number:
1354952-35-4
Mol. Formula:
C12H8Cl2N4
M.W.:
279.13
Type:
Small molecule
AlogP:
3.21
Polar Surface Area:
43.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA489467 Name:
N6-(4-trifluoromethoxybenzyl)-adenosine
Mol. Formula:
C18H18F3N5O5
M.W.:
441.37
Type:
Small molecule
AlogP:
0.95
Polar Surface Area:
134.78
HBA:
10
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA446914 Name:
FeCl3.6H2O
Mol. Formula:
H12Cl3FeO6
M.W.:
270.29
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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