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ALA4793552 Name:
N-[[5-Chloro-3-[5-cyano-4-[2-iodo-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridShow More⌵
Mol. Formula:
C30H29ClF3IN4O3
M.W.:
712.94
Type:
Unknown
AlogP:
6.64
Polar Surface Area:
100.43
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4645530 Name:
N-(3-((4-Fluorophenyl)amino)quinoxalin-2-yl)benzamide
Mol. Formula:
C21H15FN4O
M.W.:
358.38
Type:
Unknown
AlogP:
4.76
Polar Surface Area:
66.91
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4645485 Name:
5-(6-(2-(2-(2,4-dichlorobenzyloxy)benzylidene)hydrazinyl)-[1,2,5]oxadiazoloShow More⌵
Mol. Formula:
C25H15Cl2N9O3
M.W.:
560.36
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
152.14
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4643757 Name:
N-(3-((4-Fluorophenyl)amino)quinoxalin-2-yl)benzo[d][1,3]-dioxole-5-carboxaShow More⌵
Mol. Formula:
C22H15FN4O3
M.W.:
402.39
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
85.37
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4640789 Name:
6-(2-((5-(4-chloro-3-nitrophenyl)furan-2-yl)methylene)hydrazinyl)-N-(2,3-diShow More⌵
Mol. Formula:
C23H17ClN8O4
M.W.:
504.89
Type:
Unknown
AlogP:
5.64
Polar Surface Area:
157.40
HBA:
11
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4637348 Name:
3-(5-((2-(6-(2,3-dimethylphenylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)Show More⌵
Mol. Formula:
C24H19N7O4
M.W.:
469.46
Type:
Unknown
AlogP:
4.78
Polar Surface Area:
151.56
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4634108 Name:
N-(2,3-dimethylphenyl)-6-(2-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)hydShow More⌵
Mol. Formula:
C20H16N8O5
M.W.:
448.40
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
162.72
HBA:
12
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4633484 Name:
ethyl 4-(6-(2-((3-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-[1,2,5]oxadiShow More⌵
Mol. Formula:
C23H19N9O3
M.W.:
469.47
Type:
Unknown
AlogP:
3.77
Polar Surface Area:
156.10
HBA:
11
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4633379 Name:
N-(4-bromophenyl)-6-(2-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylene)hyShow More⌵
Mol. Formula:
C22H15BrClN7O2
M.W.:
524.77
Type:
Unknown
AlogP:
6.19
Polar Surface Area:
114.26
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4070476 Name:
Sepantronium Bromide
Mol. Formula:
C20H25BrN4O
M.W.:
417.35
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
41.26
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
Type:
Small molecule
AlogP:
7.13
Polar Surface Area:
49.88
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
29
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA2424941 Name:
4-(3-(benzyloxy)phenyl)-6-(5-chloro-2-hydroxy-3-iodophenyl)-2-oxo-1,2-dihydShow More⌵
Mol. Formula:
C25H16ClIN2O3
M.W.:
554.77
Type:
Small molecule
AlogP:
6.12
Polar Surface Area:
86.11
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2424940 Name:
6-(5-chloro-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrShow More⌵
Mol. Formula:
C18H11ClN2O2
M.W.:
322.75
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
76.88
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2424939 Name:
4-(3,5-bis(benzyloxy)phenyl)-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydroShow More⌵
Mol. Formula:
C32H23ClN2O4
M.W.:
535.00
Type:
Small molecule
AlogP:
7.10
Polar Surface Area:
95.34
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA396856 Name:
N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More⌵
Mol. Formula:
C32H33Cl2F3N4O3
M.W.:
649.54
Type:
Small molecule
AlogP:
7.47
Polar Surface Area:
100.43
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA234358 Name:
N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More⌵
Mol. Formula:
C30H29Cl2F3N4O3
M.W.:
621.49
Type:
Small molecule
AlogP:
6.69
Polar Surface Area:
100.43
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA234421 Name:
N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More⌵
Mol. Formula:
C34H33Cl2F3N4O4
M.W.:
689.56
Type:
Small molecule
AlogP:
7.39
Polar Surface Area:
117.50
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA272921 Name:
N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More⌵
Mol. Formula:
C31H29Cl2F3N4O4
M.W.:
649.50
Type:
Small molecule
AlogP:
6.61
Polar Surface Area:
117.50
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA234330 Name:
N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More⌵
Mol. Formula:
C30H27Cl2F3N4O5
M.W.:
651.47
Type:
Small molecule
AlogP:
5.46
Polar Surface Area:
126.73
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA392286 Name:
N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More⌵
Mol. Formula:
C27H23Cl2F3N4O3
M.W.:
579.41
Type:
Small molecule
AlogP:
5.57
Polar Surface Area:
109.22
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
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