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ALA5286111 Name:
4-amino-8-cyano-7-methyl-6-phenylpyrrolo[2,1-c][1,
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Mol. Formula:
C15H12N6O
M.W.:
292.30
Type:
---
AlogP:
1.26
Polar Surface Area:
123.09
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5285426 Name:
4-amino-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]tria
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Mol. Formula:
C15H10N6
M.W.:
274.29
Type:
---
AlogP:
2.03
Polar Surface Area:
103.79
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5277935 Name:
3-acetyl-4,7-dimethyl-6-phenylpyrrolo[2,1-c][1,2,4
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Mol. Formula:
C17H14N4O
M.W.:
290.33
Type:
---
AlogP:
3.09
Polar Surface Area:
71.05
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5277176 Name:
4-amino-7-methyl-6-phenylpyrrolo[2,1-c][1,2,4]tria
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Mol. Formula:
C15H10N6
M.W.:
274.29
Type:
---
AlogP:
2.03
Polar Surface Area:
103.79
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5271122 Name:
6,8-dimethyl-6H-pyrazolo[4,3-e]tetrazolo[1,5-b][1,
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Mol. Formula:
C6H6N8
M.W.:
190.17
Type:
---
AlogP:
-0.89
Polar Surface Area:
86.68
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5268009 Name:
ethyl 4-amino-8-cyano-7-methyl-6-phenylpyrrolo[2,1
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Mol. Formula:
C17H15N5O2
M.W.:
321.34
Type:
---
AlogP:
2.34
Polar Surface Area:
106.30
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5187375 Name:
N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-3-m
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Mol. Formula:
C18H12ClF2N5
M.W.:
371.78
Type:
---
AlogP:
4.80
Polar Surface Area:
55.63
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2414934 Name:
5-[5-(4-Methoxyphenyl)-3-naphthalen-2-yl-4,5-dihyd
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Mol. Formula:
C28H28N4O4S
M.W.:
516.62
Type:
Small molecule
AlogP:
4.31
Polar Surface Area:
74.68
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2347231 Name:
4-(4-Chlorophenylamino)-6-ureidoquinazoline
Mol. Formula:
C15H12ClN5O
M.W.:
313.75
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
92.93
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2235178 Name:
4-(4-methoxyphenyl)-2-oxo-6-(thiophen-2-yl)-1,2-di
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Mol. Formula:
C17H12N2O2S
M.W.:
308.36
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
65.88
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2172550 Name:
3-[5-(4-Methoxyphenyl)-3-naphthalen-2-ylpyrazol-1-
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Mol. Formula:
C28H21N3O2
M.W.:
431.50
Type:
Small molecule
AlogP:
5.92
Polar Surface Area:
56.15
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA266060 Name:
gymnasterone A
Mol. Formula:
C45H67NO5
M.W.:
702.03
Type:
Small molecule
AlogP:
8.79
Polar Surface Area:
103.70
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA365210 Name:
1-(4,6-Dimethoxy-[1,3,5]triazin-2-ylethynyl)-cyclo
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Mol. Formula:
C13H17N3O3
M.W.:
263.30
Type:
Small molecule
AlogP:
0.94
Polar Surface Area:
77.36
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
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