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ALA4751079 Name:
NA
Mol. Formula:
C109H131N23O22
M.W.:
2115.39
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4760821 Name:
NA
Mol. Formula:
C96H119N20O25P
M.W.:
1984.10
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4527030 Name:
Pestalone C
Mol. Formula:
C20H19BrO6
M.W.:
435.27
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
115.06
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4464310 Name:
Pestalone E
Mol. Formula:
C20H19ClO6
M.W.:
390.82
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
115.06
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4217006 Name:
Rac-N-(4-Amino-6-methylene-5-(4-phenoxyphenyl)-7,8
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Mol. Formula:
C25H21N5O2
M.W.:
423.48
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
95.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4168800 Name:
Macrophilone C
Mol. Formula:
C11H11N3O2S
M.W.:
249.29
Type:
Small molecule
AlogP:
0.62
Polar Surface Area:
88.97
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4160862 Name:
Macrophilone D
Mol. Formula:
C11H11N3O3S
M.W.:
265.29
Type:
Small molecule
AlogP:
-0.37
Polar Surface Area:
112.03
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4130265 Name:
3,4-difluoro-2-(phenylamino)benzoicacid
Mol. Formula:
C13H9F2NO2
M.W.:
249.22
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4130057 Name:
(4-methylpiperazin-1-yl)(2-(phenylamino)phenyl)met
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Mol. Formula:
C18H21N3O
M.W.:
295.39
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
35.58
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.95
DETAILS
CLOSE
ALA4129409 Name:
3,4-difluoro-2-((2-fluorophenyl)amino)benzamide
Mol. Formula:
C13H9F3N2O
M.W.:
266.22
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
55.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.90
DETAILS
CLOSE
ALA4129239 Name:
3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-N,N-
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Mol. Formula:
C15H12F3IN2O
M.W.:
420.17
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
32.34
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4128697 Name:
Methyl 3,4-difluoro-2-((2-fluoro-4-iodophenyl)(met
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Mol. Formula:
C15H11F3INO2
M.W.:
421.16
Type:
Small molecule
AlogP:
4.26
Polar Surface Area:
29.54
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4128403 Name:
Methyl 3,4-difluoro-2-((2-fluoro-4-iodophenyl)amin
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Mol. Formula:
C14H9F3INO2
M.W.:
407.13
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
38.33
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4128260 Name:
3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-N-me
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Mol. Formula:
C14H10F3IN2O
M.W.:
406.14
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4127601 Name:
3,4-difluoro-2-(phenylamino)phenyl(4-methylpiperaz
Show More⌵
Mol. Formula:
C18H19F2N3O
M.W.:
331.37
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
35.58
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA4127455 Name:
3,4-difluoro-2-((2-fluoro-4-iodophenyl)(methyl)ami
Show More⌵
Mol. Formula:
C14H9F3INO2
M.W.:
407.13
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
40.54
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4127424 Name:
N-(2-(dimethylamino)ethyl)-3,4-difluoro-2-((2-fluo
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Mol. Formula:
C18H19F3IN3O
M.W.:
477.27
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
35.58
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4127342 Name:
2-((2-fluorophenyl)amino)benzamide
Mol. Formula:
C13H11FN2O
M.W.:
230.24
Type:
Small molecule
AlogP:
2.67
Polar Surface Area:
55.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.85
DETAILS
CLOSE
ALA4127308 Name:
(3,4-difluoro-2-((2-fluoro-4-iodophenyl)(methyl)am
Show More⌵
Mol. Formula:
C19H19F3IN3O
M.W.:
489.28
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
26.79
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4127200 Name:
(2-((2-fluoro-4-iodophenyl)amino)phenyl)(4-methylp
Show More⌵
Mol. Formula:
C18H19FIN3O
M.W.:
439.27
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
35.58
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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