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ALA3717424 Name:
N-[3-({2-[(6-hydroxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}amino)-3-oxo-1Show More⌵
Mol. Formula:
C25H22N4O4S
M.W.:
474.54
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
120.42
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3719083 Name:
N-{3-[(6-hydroxy-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl}benzamidShow More⌵
Mol. Formula:
C23H19N3O3S
M.W.:
417.49
Type:
Small molecule
AlogP:
4.50
Polar Surface Area:
91.32
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3717335 Name:
4'-ethyl-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)ethyl]biphenylShow More⌵
Mol. Formula:
C26H27N3O2
M.W.:
413.52
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
70.23
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3717643 Name:
1,1-dimethylethyl 4-({N-[(4'-ethylbiphenyl-4-yl)carbonyl]glycyl}amino)-3,4-Show More⌵
Mol. Formula:
C31H35N3O4
M.W.:
513.64
Type:
Small molecule
AlogP:
5.25
Polar Surface Area:
87.74
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3717846 Name:
N-{3-[(2-{[5-(methyloxy)[1,3]thiazolo[5,4-b]pyridin-2-yl]amino}-2-oxoethyl)Show More⌵
Mol. Formula:
C25H23N5O4S
M.W.:
489.56
Type:
Small molecule
AlogP:
3.32
Polar Surface Area:
122.31
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3717276 Name:
N-[3-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}amino)-3-oxo-1-phenyShow More⌵
Mol. Formula:
C22H22N4O3S
M.W.:
422.51
Type:
Small molecule
AlogP:
3.07
Polar Surface Area:
100.19
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3716742 Name:
N-(3-oxo-3-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino}-1-phenylpropyl)benShow More⌵
Mol. Formula:
C21H20N4O3S
M.W.:
408.48
Type:
Small molecule
AlogP:
2.76
Polar Surface Area:
100.19
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3718766 Name:
N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylpiperazinShow More⌵
Mol. Formula:
C23H28N4O2
M.W.:
392.50
Type:
Small molecule
AlogP:
2.71
Polar Surface Area:
64.68
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA3715546 Name:
N-(3-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]amino}-3-oxo-1-phenylpropyShow More⌵
Mol. Formula:
C25H22N4O3S
M.W.:
458.54
Type:
Small molecule
AlogP:
3.91
Polar Surface Area:
100.19
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3718863 Name:
N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]-4-piperidin-1-ylbShow More⌵
Mol. Formula:
C24H29N3O2
M.W.:
391.52
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
61.44
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA3717227 Name:
N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-3-piperidin-1-ylpShow More⌵
Mol. Formula:
C20H29N3O2
M.W.:
343.47
Type:
Small molecule
AlogP:
2.17
Polar Surface Area:
61.44
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3718595 Name:
N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]quinoline-3-carboxShow More⌵
Mol. Formula:
C22H21N3O2
M.W.:
359.43
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
71.09
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3715570 Name:
N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]quinoline-6-carboxShow More⌵
Mol. Formula:
C22H21N3O2
M.W.:
359.43
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
71.09
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3715338 Name:
N-(phenylcarbonyl)-beta-alanyl-N-[6-(methyloxy)-1,3-benzothiazol-2-yl]glyciShow More⌵
Mol. Formula:
C20H20N4O4S
M.W.:
412.47
Type:
Small molecule
AlogP:
2.18
Polar Surface Area:
109.42
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3719243 Name:
3-(acetylamino)-N-(2-{[6-(methyloxy)-1,3-benzothiazol-2-yl]amino}-2-oxoethyShow More⌵
Mol. Formula:
C21H22N4O4S
M.W.:
426.50
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
109.42
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3716774 Name:
4'-ethyl-N-{2-oxo-2-[(1-phenylpropyl)amino]ethyl}biphenyl-4-carboxamide
Mol. Formula:
C26H28N2O2
M.W.:
400.52
Type:
Small molecule
AlogP:
4.91
Polar Surface Area:
58.20
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA3717552 Name:
N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-5,6,7,8-tetrahydrShow More⌵
Mol. Formula:
C23H26N2O2
M.W.:
362.47
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
58.20
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA3717117 Name:
N-(3-oxo-3-{[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino}-1Show More⌵
Mol. Formula:
C28H29N3O3
M.W.:
455.56
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
87.30
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3717713 Name:
N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]quinoline-6-carboxShow More⌵
Mol. Formula:
C22H21N3O2
M.W.:
359.43
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
71.09
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3716416 Name:
4'-ethyl-N-[2-oxo-2-({[2-(trifluoromethyl)phenyl]methyl}amino)ethyl]biphenyShow More⌵
Mol. Formula:
C25H23F3N2O2
M.W.:
440.47
Type:
Small molecule
AlogP:
4.98
Polar Surface Area:
58.20
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
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