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ALA4248974 Name:
1-(4-(4-Methyl-3,4-dihydroquinoxalin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-oShow More⌵
Mol. Formula:
C19H21N3O3S
M.W.:
371.46
Type:
Small molecule
AlogP:
2.46
Polar Surface Area:
60.93
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4246320 Name:
1-(4-(6-methyl-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-one
Mol. Formula:
C20H22N2O3S
M.W.:
370.47
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
57.69
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4244338 Name:
1-methyl-4-(4-(pyrrolidin-1-yl)phenylsulfonyl)-1,2,3,4-tetrahydroquinoxalinShow More⌵
Mol. Formula:
C19H23N3O2S
M.W.:
357.48
Type:
Small molecule
AlogP:
2.93
Polar Surface Area:
43.86
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4243509 Name:
1-(4-(2-Methyl-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-one
Mol. Formula:
C20H22N2O4S
M.W.:
386.47
Type:
Small molecule
AlogP:
2.96
Polar Surface Area:
66.92
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4243377 Name:
4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propylbenzenesulfonamide
Mol. Formula:
C19H22N2O3S
M.W.:
358.46
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
57.69
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4240977 Name:
1-(4-(6-(Trifluoromethyl)-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrroShow More⌵
Mol. Formula:
C23H28N2O3S
M.W.:
412.56
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
57.69
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4240212 Name:
1-(4-(3,4-Dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-one
Mol. Formula:
C19H20N2O3S
M.W.:
356.45
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
57.69
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4240141 Name:
1-(4-(4,5-dihydro-1H-pyrazol-1-yl)phenylsulfonyl)-4-methyl-1,2,3,4-tetrahydShow More⌵
Mol. Formula:
C18H20N4O2S
M.W.:
356.45
Type:
Small molecule
AlogP:
2.53
Polar Surface Area:
56.22
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4238053 Name:
1-(4-(6-Methoxy-4-methyl-3,4-dihydroquinoxalin-1(2H)-ylsulfonyl)phenyl)pyrrShow More⌵
Mol. Formula:
C20H23N3O4S
M.W.:
401.49
Type:
Small molecule
AlogP:
2.47
Polar Surface Area:
70.16
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA2436173 Name:
(R)-9-acetyl-6-(2-(1-methylpyrrolidin-2-yl)ethyl)-1,2-dihydrocyclopenta[c]cShow More⌵
Mol. Formula:
C24H26N2O2
M.W.:
374.48
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
42.31
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2059435 Name:
2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((2S,3S)-2-hydroxypenShow More⌵
Mol. Formula:
C25H29Cl2NO4
M.W.:
478.42
Type:
Small molecule
AlogP:
5.69
Polar Surface Area:
77.84
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA2059300 Name:
2-((3R,5R,6S)-1-((S)-1-tert-butoxy-1-oxobutan-2-yl)-5-(3-chlorophenyl)-6-(4Show More⌵
Mol. Formula:
C28H33Cl2NO5
M.W.:
534.48
Type:
Small molecule
AlogP:
6.65
Polar Surface Area:
83.91
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA583413 Name:
6,7-bis(4-bromophenyl)-2,12-dimethyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]Show More⌵
Mol. Formula:
C26H20Br2N4O
M.W.:
564.28
Type:
Small molecule
AlogP:
6.70
Polar Surface Area:
43.18
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
Nutlin-3a Name:
4-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-Show More⌵
Mol. Formula:
C30H30Cl2N4O4
M.W.:
581.50
Type:
Small molecule
AlogP:
5.89
Polar Surface Area:
83.47
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
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