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ALA5287646 Name:
N-(2-methylbenzo[1,2-d:3,4-d']bis(thiazole)-7-yl)b
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Mol. Formula:
C17H10N4OS3
M.W.:
382.50
Type:
---
AlogP:
5.08
Polar Surface Area:
67.77
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5290575 Name:
5-chloro-3-phenyl-6,7-dihydropyrrolo[3,4-g]indol-8
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Mol. Formula:
C16H11ClN2O
M.W.:
282.73
Type:
---
AlogP:
3.73
Polar Surface Area:
44.89
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5282544 Name:
N-(3-chlorophenyl)-8-((1-(2-nitrophenyl)-1H-1,2,3-
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Mol. Formula:
C23H16ClN7O3
M.W.:
473.88
Type:
---
AlogP:
5.09
Polar Surface Area:
120.89
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5276465 Name:
N6-(3-amino-5-chlorophenyl)-N2-(2-aminocyclohexyl)
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Mol. Formula:
C20H27ClN8
M.W.:
414.95
Type:
---
AlogP:
4.07
Polar Surface Area:
119.70
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4090007 Name:
(E)-Ethyl 3-(2-amino-1-cyanovinyl)-6,7-dichloro-1-
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Mol. Formula:
C15H13Cl2N3O2
M.W.:
338.19
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
81.04
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4084116 Name:
(R)-N6-(3-amino-5-chlorophenyl)-9-isopropyl-N2-(py
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Mol. Formula:
C18H23ClN8
M.W.:
386.89
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
105.71
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4102101 Name:
(S)-N6-(3-amino-5-chlorophenyl)-9-isopropyl-N2-(py
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Mol. Formula:
C18H23ClN8
M.W.:
386.89
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
105.71
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
Type:
Small molecule
AlogP:
4.79
Polar Surface Area:
56.27
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA1236620 Name:
ethyl 3-(2-amino-1-cyanovinyl)-6,7-dichloro-1-meth
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Mol. Formula:
C15H13Cl2N3O2
M.W.:
338.19
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
81.04
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
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