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ALA1771529 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(3,4-dichl
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Mol. Formula:
C12H8Br2Cl2N2O2
M.W.:
442.92
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
54.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1771528 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(2,4-dichl
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Mol. Formula:
C12H8Br2Cl2N2O2
M.W.:
442.92
Type:
Small molecule
AlogP:
4.71
Polar Surface Area:
54.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1771525 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(2-chlorob
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Mol. Formula:
C12H9Br2ClN2O2
M.W.:
408.48
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
54.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA1771524 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(4-fluorob
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Mol. Formula:
C12H9Br2FN2O2
M.W.:
392.02
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
54.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1771523 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(3-fluorob
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Mol. Formula:
C12H9Br2FN2O2
M.W.:
392.02
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
54.12
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1771520 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(benzo[1,3
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Mol. Formula:
C13H10Br2N2O4
M.W.:
418.04
Type:
Small molecule
AlogP:
3.13
Polar Surface Area:
72.58
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA1771519 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(3,4-dimet
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Mol. Formula:
C14H14Br2N2O4
M.W.:
434.08
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
72.58
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1771518 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(3-methoxy
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Mol. Formula:
C16H14Br2N2O4
M.W.:
458.11
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
72.58
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1770187 Name:
3,4,5-Tribromo-1H-pyrrole-2-carboxylic acid(3-meth
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Mol. Formula:
C16H13Br3N2O4
M.W.:
537.00
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
72.58
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA1770186 Name:
3-Methoxy-2-{2-[(1H-pyrrole-2-carbonyl)-aminooxyme
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Mol. Formula:
C17H18N2O5
M.W.:
330.34
Type:
Small molecule
AlogP:
2.04
Polar Surface Area:
89.65
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1770182 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(4-nitrobe
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Mol. Formula:
C12H9Br2N3O4
M.W.:
419.03
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
97.26
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1770181 Name:
4,5-Dibromo-1H-pyrrole-2-carboxylic acid(4-cyanobe
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Mol. Formula:
C13H9Br2N3O2
M.W.:
399.04
Type:
Small molecule
AlogP:
3.27
Polar Surface Area:
77.91
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
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