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ALA4094305 Name:
6'-bromo-5'-methyl-2,3'-biindole-2',3(1H,1'H)-dion
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Mol. Formula:
C19H14BrN3O3
M.W.:
412.24
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
79.79
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4093922 Name:
2'-Oxo-3-[(E)-2-piperazin-1-yl-ethoxyimino]-7'-tri
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Mol. Formula:
C24H22F3N5O4
M.W.:
501.47
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
115.29
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4091937 Name:
4-{[({[6'-bromo-2'-oxo-1',2'-dihydro-2,3'-biindol-
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Mol. Formula:
C24H14BrN5O3
M.W.:
500.31
Type:
Small molecule
AlogP:
5.06
Polar Surface Area:
115.61
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4091299 Name:
6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-(O-{[(
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Mol. Formula:
C18H10BrCl3N4O3
M.W.:
516.57
Type:
Small molecule
AlogP:
5.00
Polar Surface Area:
91.82
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4091135 Name:
7'-Trifluoromethyl-1H,1'H-[2,3']biindolylidene-3,2
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Mol. Formula:
C25H26F3N5O3
M.W.:
501.51
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
89.43
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4090969 Name:
7'-Bromo-2'-oxo-3-[(E)-2-piperazin-1-yl-ethoxyimin
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Mol. Formula:
C24H24BrN5O4
M.W.:
526.39
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
104.29
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4482914 Name:
(R)-N-(3-amino-4-(5-(5-(5-(5-(3-(dimethylamino)pro
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Mol. Formula:
C54H66N22O9
M.W.:
1167.27
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4089191 Name:
7'-Bromo-2'-oxo-3-[(E)-2-piperazin-1-yl-ethoxyimin
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Mol. Formula:
C23H22BrN5O4
M.W.:
512.36
Type:
Small molecule
AlogP:
2.56
Polar Surface Area:
115.29
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4088192 Name:
7'-Bromo-5-(1H-tetrazol-5-yl)-1H,1'H-[2,3']biindol
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Mol. Formula:
C17H10BrN7O2
M.W.:
424.22
Type:
Small molecule
AlogP:
2.60
Polar Surface Area:
128.18
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4084058 Name:
1'-acetyl-6'-bromo-5'-nitro-2,3'-biindole-2',3(1H,
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Mol. Formula:
C20H13BrN4O6
M.W.:
485.25
Type:
Small molecule
AlogP:
3.35
Polar Surface Area:
131.21
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4083633 Name:
6'-Bromo-5'-nitro-1H,1'H-[2,3']biindolylidene-3,2'
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Mol. Formula:
C16H9BrN4O4
M.W.:
401.18
Type:
Small molecule
AlogP:
3.32
Polar Surface Area:
116.86
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4082833 Name:
2'-Oxo-3-[(E)-2-piperazin-1-yl-ethoxyimino]-7'-tri
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Mol. Formula:
C24H22F3N5O4
M.W.:
501.47
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
115.29
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4080255 Name:
7'-Bromo-1H,1'H-[2,3']biindolylidene-3,2'-dione 3-
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Mol. Formula:
C22H24BrCl2N5O2
M.W.:
541.28
Type:
Small molecule
AlogP:
2.86
Polar Surface Area:
77.99
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4069100 Name:
7'-Bromo-1'-methyl-1H,1'H-[2,3']biindolylidene-3,2
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Mol. Formula:
C23H26BrCl2N5O2
M.W.:
555.30
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
69.20
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4068697 Name:
7'-Iodo-1'-methyl-1H,1'H-[2,3']biindolylidene-3,2'
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Mol. Formula:
C17H11IN2O2
M.W.:
402.19
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
49.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4067811 Name:
7'-Bromo-2'-oxo-3-[2-piperazin-1-yl-ethoxyimino]-1
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Mol. Formula:
C24H24BrN5O4
M.W.:
526.39
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
104.29
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4065106 Name:
5',6'-Dichloro-1H,1'H-[2,3']biindolylidene-3,2'-di
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Mol. Formula:
C16H8Cl2N2O2
M.W.:
331.16
Type:
Small molecule
AlogP:
3.97
Polar Surface Area:
58.20
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4086162 Name:
2'-Oxo-3-[(E)-2-piperazin-1-yl-ethoxyimino]-7'-tri
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Mol. Formula:
C25H24F3N5O4
M.W.:
515.49
Type:
Small molecule
AlogP:
2.91
Polar Surface Area:
104.29
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4084579 Name:
7'-Trifluoromethyl-1H,1'H-[2,3']biindolylidene-3,2
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Mol. Formula:
C23H22F3N5O2
M.W.:
457.46
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
77.99
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4064962 Name:
7'-Bromo-1H,1'H-[2,3']biindolylidene-3,2'-dione 3-
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Mol. Formula:
C22H24BrClN4O2
M.W.:
491.82
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
65.96
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
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