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ALA5086647 Name:
N-(3-chloro-4-(((cyclohexylmethyl)(propyl)amino)methyl)phenyl)-2-(4-(methylShow More⌵
Mol. Formula:
C26H35ClN2O3S
M.W.:
491.10
Type:
Unknown
AlogP:
5.72
Polar Surface Area:
66.48
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4540580 Name:
4-[3-(2,6-dichlorobenzoyl)indazol-1-yl]benzoic acid
Mol. Formula:
C21H12Cl2N2O3
M.W.:
411.24
Type:
Unknown
AlogP:
5.26
Polar Surface Area:
72.19
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4454027 Name:
4-[3-(2,6-dichlorobenzoyl)indol-1-yl]benzoic acid
Mol. Formula:
C22H13Cl2NO3
M.W.:
410.26
Type:
Unknown
AlogP:
5.87
Polar Surface Area:
59.30
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4293415 Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)phenyl)-N,2-dimethyl-N-phenylproShow More⌵
Mol. Formula:
C27H30N2O4S
M.W.:
478.61
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4292660 Name:
2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-methyl-1-oxo-1-(2-azaspiro[3.3]heptan-2Show More⌵
Mol. Formula:
C26H32N2O4S
M.W.:
468.62
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4290041 Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)-2-fluorophenyl)-N-(4-fluorophenShow More⌵
Mol. Formula:
C26H26F2N2O4S
M.W.:
500.57
Type:
Small molecule
AlogP:
4.86
Polar Surface Area:
92.34
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
S18-000003 Name:
N-(2,4-difluorophenyl)-2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)-2-fluoroShow More⌵
Mol. Formula:
C26H25F3N2O4S
M.W.:
518.56
Type:
Small molecule
AlogP:
5.00
Polar Surface Area:
92.34
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4287342 Name:
2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-methyl-1-oxo-1-(piperidin-1-yl)propan-2Show More⌵
Mol. Formula:
C25H32N2O4S
M.W.:
456.61
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4286190 Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)phenyl)-N-(2-fluorophenyl)-2-metShow More⌵
Mol. Formula:
C26H27FN2O4S
M.W.:
482.58
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
92.34
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4282801 Name:
2-(4-(ethylsulfonyl)phenyl)-N-(4-(1-(indolin-1-yl)-2-methyl-1-oxopropan-2-yShow More⌵
Mol. Formula:
C28H30N2O4S
M.W.:
490.63
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4282063 Name:
N-(4-(1-(azetidin-1-yl)-2-methyl-1-oxopropan-2-yl)phenyl)-2-(4-(ethylsulfonShow More⌵
Mol. Formula:
C23H28N2O4S
M.W.:
428.55
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4281750 Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)phenyl)-N-(3-fluorophenyl)-2-metShow More⌵
Mol. Formula:
C26H27FN2O4S
M.W.:
482.58
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
92.34
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4279772 Name:
N-(4-cyanopyridin-2-yl)-2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)-2-fluorShow More⌵
Mol. Formula:
C26H25FN4O4S
M.W.:
508.58
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
129.02
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4279420 Name:
2-(4-(2-(4-(ethylsulfonyl)phenyl)acetamido)phenyl)-2-methyl-N-phenylpropanaShow More⌵
Mol. Formula:
C26H28N2O4S
M.W.:
464.59
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
92.34
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4278285 Name:
2-(4-(ethylsulfonyl)phenyl)-N-(4-(1-(isoindolin-2-yl)-2-methyl-1-oxopropan-Show More⌵
Mol. Formula:
C28H30N2O4S
M.W.:
490.63
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4215628 Name:
5-(2,6-dicyclopropylpyridin-4-yl)-N-(2-hydroxy-1-(4-(methylsulfonyl)phenyl)Show More⌵
Mol. Formula:
C29H32N4O4S
M.W.:
532.67
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
112.49
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4215100 Name:
1-(2,6-dicyclopropylpyridin-4-yl)-N-(2-fluoro-4-(methylsulfonyl)benzyl)-2,3Show More⌵
Mol. Formula:
C27H27FN4O4S
M.W.:
522.60
Type:
Small molecule
AlogP:
4.23
Polar Surface Area:
101.49
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4209300 Name:
ethyl 2-((5-(2,6-dicyclopropylpyridin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyrShow More⌵
Mol. Formula:
C32H36N4O5S
M.W.:
588.73
Type:
Small molecule
AlogP:
5.22
Polar Surface Area:
118.56
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4208374 Name:
1-(2,6-dicyclopropylpyridin-4-yl)-N-(4-(methylsulfonyl)benzyl)-2,3-dihydro-Show More⌵
Mol. Formula:
C27H28N4O4S
M.W.:
504.61
Type:
Small molecule
AlogP:
4.10
Polar Surface Area:
101.49
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4207784 Name:
4-(2,6-dicyclopropylpyridin-4-yl)-N-((5-(methylsulfonyl)pyridin-2-yl)methylShow More⌵
Mol. Formula:
C28H29N3O4S
M.W.:
503.62
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
98.25
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
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