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ALA5288087 Name:
3-(4-(3-fluorophenyl)-1H-benzo[d]imidazol-2-yl)-N-
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Mol. Formula:
C22H15FN6O
M.W.:
398.40
Type:
---
AlogP:
4.41
Polar Surface Area:
99.35
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4790791 Name:
3-(1-methyl-1H-pyrazol-4-yl)-5-(1H-pyrazol-4-yl)fu
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Mol. Formula:
C14H11N5O
M.W.:
265.28
Type:
Unknown
AlogP:
2.62
Polar Surface Area:
72.53
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4790030 Name:
3-phenyl-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
Mol. Formula:
C16H11N3O
M.W.:
261.28
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
54.71
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5269810 Name:
N-(4-methoxyphenyl)-5-(5-(piperidin-1-ylmethyl)pyr
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Mol. Formula:
C26H27N5O2
M.W.:
441.54
Type:
---
AlogP:
4.87
Polar Surface Area:
83.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5202010 Name:
2-[(1R)-1-fluoroethyl]-5-[[6-(4-methoxypyrrolo[2,1
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Mol. Formula:
C19H17FN8O2
M.W.:
408.40
Type:
---
AlogP:
2.92
Polar Surface Area:
109.05
HBA:
10
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4750420 Name:
3-(naphthalen-2-yl)-5-(1H-pyrazol-4-yl)furo[3,2-b]
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Mol. Formula:
C20H13N3O
M.W.:
311.34
Type:
Unknown
AlogP:
5.04
Polar Surface Area:
54.71
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4743939 Name:
3-(4-methoxyphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]
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Mol. Formula:
C17H13N3O2
M.W.:
291.31
Type:
Unknown
AlogP:
3.89
Polar Surface Area:
63.94
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3601192 Name:
(1R,2S,3R,5R)-3-(2-(2,6-dimethylpyridin-4-ylamino)
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Mol. Formula:
C26H28N6O3
M.W.:
472.55
Type:
Small molecule
AlogP:
2.96
Polar Surface Area:
136.31
HBA:
9
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3298371 Name:
(S)-N-(1-(3-(Dimethylamino)-1-phenylpropyl)-1H-pyr
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Cas Number:
1557232-32-2
Mol. Formula:
C24H32N6O
M.W.:
420.56
Type:
Small molecule
AlogP:
3.91
Polar Surface Area:
78.84
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA2392362 Name:
N-(3,4-dichlorobenzyl)-4-(3-methoxyphenyl)pyrimidi
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Mol. Formula:
C18H15Cl2N3O
M.W.:
360.24
Type:
Small molecule
AlogP:
5.07
Polar Surface Area:
47.04
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2392361 Name:
N-(4-chlorobenzyl)-4-(3-methoxyphenyl)pyrimidin-2-
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Mol. Formula:
C18H16ClN3O
M.W.:
325.80
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
47.04
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2153266 Name:
4-(Quinoline-3-yl)-1H-imidazo[4,5-c]pyridin-2-amin
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Mol. Formula:
C15H11N5
M.W.:
261.29
Type:
Small molecule
AlogP:
2.76
Polar Surface Area:
80.48
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2007002 Name:
SID103904737
Mol. Formula:
C21H17N3O3
M.W.:
359.39
Type:
Small molecule
AlogP:
4.20
Polar Surface Area:
87.24
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2005899 Name:
SID103905650
Mol. Formula:
C17H21N3O3
M.W.:
315.37
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
79.37
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA2005528 Name:
SID103905407
Cas Number:
1967-75-5
Mol. Formula:
C14H14N2O3
M.W.:
258.28
Type:
Small molecule
AlogP:
1.63
Polar Surface Area:
71.19
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2005475 Name:
SID103904997
Mol. Formula:
C19H21N3OS
M.W.:
339.46
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
57.78
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA2005216 Name:
SID103904260
Mol. Formula:
C18H21ClN6O2S
M.W.:
420.93
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
112.66
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2005214 Name:
SID103905099
Mol. Formula:
C14H11BrN4O
M.W.:
331.17
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
87.72
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA2004601 Name:
SID103905165
Mol. Formula:
C19H20ClN3O
M.W.:
341.84
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
50.78
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2004311 Name:
SID103904278
Mol. Formula:
C24H23N3O2
M.W.:
385.47
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
70.23
HBA:
2
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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