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ALA5197742 Name:
4-acetyl-N-(4-(sulfamoylmethyl)benzyl)-1H-pyrrole-2-carboxamide
Mol. Formula:
C15H17N3O4S
M.W.:
335.39
Type:
---
AlogP:
0.94
Polar Surface Area:
122.12
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5180458 Name:
5-((3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylpropanamido)methyl)-2-meShow More⌵
Mol. Formula:
C16H19N3O5
M.W.:
333.34
Type:
---
AlogP:
2.14
Polar Surface Area:
109.67
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5179823 Name:
5-((6-ethoxy-N-methylchroman-3-carboxamido)methyl)-2-methylfuran-3-carboxylShow More⌵
Mol. Formula:
C20H23NO6
M.W.:
373.41
Type:
---
AlogP:
2.89
Polar Surface Area:
89.21
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4295234 Name:
6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3-phenylpropyl)-1,4-dihydrShow More⌵
Mol. Formula:
C23H21N5O5
M.W.:
447.45
Type:
Small molecule
AlogP:
3.43
Polar Surface Area:
160.32
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4293449 Name:
6-amino-3-heptyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyrano[2,Show More⌵
Mol. Formula:
C21H25N5O5
M.W.:
427.46
Type:
Small molecule
AlogP:
3.76
Polar Surface Area:
160.32
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4291554 Name:
6-amino-3-(2-cyclopentylethyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-diShow More⌵
Mol. Formula:
C21H23N5O5
M.W.:
425.45
Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
160.32
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4290064 Name:
6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-pentyl-1,4-dihydropyrano[2,Show More⌵
Mol. Formula:
C19H21N5O5
M.W.:
399.41
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
160.32
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4287291 Name:
6-amino-3-(2-cyclohexylethyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihShow More⌵
Mol. Formula:
C22H25N5O5
M.W.:
439.47
Type:
Small molecule
AlogP:
3.76
Polar Surface Area:
160.32
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4286233 Name:
6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-isopentyl-1,4-dihydropyranoShow More⌵
Mol. Formula:
C19H21N5O5
M.W.:
399.41
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
160.32
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4282842 Name:
6-amino-3-hexyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyrano[2,3Show More⌵
Mol. Formula:
C20H23N5O5
M.W.:
413.43
Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
160.32
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4280914 Name:
6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-neopentyl-1,4-dihydropyranoShow More⌵
Mol. Formula:
C19H21N5O5
M.W.:
399.41
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
160.32
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4278318 Name:
6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(4-methylpentyl)-1,4-dihydrShow More⌵
Mol. Formula:
C20H23N5O5
M.W.:
413.43
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
160.32
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA2333924 Name:
1-[4-(1,1-Dioxo-1lambda*6*-isothiazolidin-2-yl)-benzenesulfonyl]-2-methyl-pShow More⌵
Mol. Formula:
C15H22N2O4S2
M.W.:
358.49
Type:
Small molecule
AlogP:
1.79
Polar Surface Area:
74.76
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA2333922 Name:
N-(4-(2-methylpiperidin-1-ylsulfonyl)phenyl)pivalamide
Mol. Formula:
C17H26N2O3S
M.W.:
338.47
Type:
Small molecule
AlogP:
3.23
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA2333919 Name:
1-(6-(2-methylpiperidin-1-ylsulfonyl)pyridin-3-yl)pyrrolidin-2-one
Mol. Formula:
C15H21N3O3S
M.W.:
323.42
Type:
Small molecule
AlogP:
1.77
Polar Surface Area:
70.58
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA2333533 Name:
1-(4-(2-Methylpiperidin-1-ylsulfonyl)phenyl)piperidin-2-one
Mol. Formula:
C17H24N2O3S
M.W.:
336.46
Type:
Small molecule
AlogP:
2.77
Polar Surface Area:
57.69
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA2333532 Name:
1-(4-(2-Methylpiperidin-1-ylsulfonyl)phenyl)azetidin-2-one
Mol. Formula:
C15H20N2O3S
M.W.:
308.40
Type:
Small molecule
AlogP:
1.99
Polar Surface Area:
57.69
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2333527 Name:
(R)-1-(4-(3-hydroxypiperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one
Mol. Formula:
C15H20N2O4S
M.W.:
324.40
Type:
Small molecule
AlogP:
0.96
Polar Surface Area:
77.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA2333526 Name:
(S)-1-(4-(3-hydroxypiperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one
Mol. Formula:
C15H20N2O4S
M.W.:
324.40
Type:
Small molecule
AlogP:
0.96
Polar Surface Area:
77.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA2333525 Name:
1-(4-((2S,6S)-2,6-dimethylpiperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one
Mol. Formula:
C17H24N2O3S
M.W.:
336.46
Type:
Small molecule
AlogP:
2.77
Polar Surface Area:
57.69
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
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