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ALA4579344 Name:
(2R,3S)-3-(6-((4,6-dimethylpyridin-3-yl)methylamin
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Mol. Formula:
C20H29N7O
M.W.:
383.50
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
100.78
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4098016 Name:
N1-(4-(4-methoxyphenyl)pyrimidin-2-yl)benzene-1,3-
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Mol. Formula:
C17H16N4O
M.W.:
292.34
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
73.06
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5200447 Name:
1-(5-methyl-1H-imidazol-4-yl)-9H-pyrido[3,4-b]indo
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Mol. Formula:
C15H12N4
M.W.:
248.29
Type:
---
AlogP:
3.41
Polar Surface Area:
57.36
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA3673985 Name:
US9096594, 54
Mol. Formula:
C20H20F3N3O2
M.W.:
391.39
Type:
Small molecule
AlogP:
4.64
Polar Surface Area:
67.01
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA3673984 Name:
4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-he
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Cas Number:
866018-94-2
Mol. Formula:
C20H23N3O2
M.W.:
337.42
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
67.01
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA3589669 Name:
10-Chloro-3-ethoxy-11H-indolo[3,2-c]quinoline-6-ca
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Mol. Formula:
C18H13ClN2O3
M.W.:
340.77
Type:
Small molecule
AlogP:
4.62
Polar Surface Area:
75.21
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3589668 Name:
3,10-Dichloro-11H-indolo[3,2-c]quinoline-6-carboxy
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Mol. Formula:
C16H8Cl2N2O2
M.W.:
331.16
Type:
Small molecule
AlogP:
4.87
Polar Surface Area:
65.98
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2297165 Name:
2-({[(6,7-Dimethoxy-4-oxo-3,4-dihydroquinazolin-2-
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Mol. Formula:
C21H23N5O3
M.W.:
393.45
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
84.75
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2003952 Name:
SID103905440
Mol. Formula:
C13H15N3O2
M.W.:
245.28
Type:
Small molecule
AlogP:
1.25
Polar Surface Area:
92.00
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA1988201 Name:
SID103905643
Cas Number:
1282460-19-8
Mol. Formula:
C20H23N
M.W.:
277.41
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA1971785 Name:
SID103905513
Mol. Formula:
C11H9NO3
M.W.:
203.20
Type:
Small molecule
AlogP:
1.30
Polar Surface Area:
63.07
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1241935 Name:
3,3,4a,3',3',4'a-Hexamethyl-3,4,4a,5,3',4',4'a,5'-
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Mol. Formula:
C26H32N6S2
M.W.:
492.72
Type:
Small molecule
AlogP:
5.36
Polar Surface Area:
54.60
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1241758 Name:
1-(4-cyclobutyl-3H-pyrrol-2-yl)-3-(isoquinolin-8-y
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Mol. Formula:
C18H18N4O
M.W.:
306.37
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
69.81
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA478704 Name:
1-(3,4-dimethoxyphenyl)furo[2,3-e]pyrrolo[1,2-a]py
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Mol. Formula:
C17H14N2O4
M.W.:
310.31
Type:
Small molecule
AlogP:
3.06
Polar Surface Area:
68.87
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA478517 Name:
1-(3,4-Dichlorophenyl)furo[2,3-e]pyrrolo [1,2-a]py
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Mol. Formula:
C15H8Cl2N2O2
M.W.:
319.15
Type:
Small molecule
AlogP:
4.35
Polar Surface Area:
50.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA478516 Name:
1-(4-Methoxyphenyl)furo[2,3-e]pyrrolo [1,2-a]pyraz
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Mol. Formula:
C16H12N2O3
M.W.:
280.28
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
59.64
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA517669 Name:
1-(4-Methylphenyl)furo[2,3-e]pyrrolo[1,2-a] pyrazi
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Mol. Formula:
C16H12N2O2
M.W.:
264.28
Type:
Small molecule
AlogP:
3.35
Polar Surface Area:
50.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA517818 Name:
1-(4-Fluorophenyl)furo[2,3-e]pyrrolo[1,2-a] pyrazi
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Mol. Formula:
C15H9FN2O2
M.W.:
268.25
Type:
Small molecule
AlogP:
3.18
Polar Surface Area:
50.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA477954 Name:
1-(4-Bromophenyl)furo[2,3-e]pyrrolo[1,2-a] pyrazin
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Mol. Formula:
C15H9BrN2O2
M.W.:
329.15
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
50.41
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA453402 Name:
1-(3,4-Dimethoxyphenyl)-3,4-dihydro-5H-dipyrrolo [
Show More⌵
Mol. Formula:
C17H15N3O3
M.W.:
309.33
Type:
Small molecule
AlogP:
2.79
Polar Surface Area:
71.52
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
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