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ALA4472586 Name:
(4aR,6aR,6bS,8aR,12aS,14aS,14bS)-methyl 11-cyano-2
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Mol. Formula:
C31H41NO4
M.W.:
491.67
Type:
Unknown
AlogP:
5.99
Polar Surface Area:
84.23
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4543157 Name:
6-((2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,
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Mol. Formula:
C35H50N2O6
M.W.:
594.79
Type:
Unknown
AlogP:
7.50
Polar Surface Area:
118.77
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA2349191 Name:
2-[(9-Isopropyl-2-piperazin-1-yl-9H-purin-6-ylamin
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Mol. Formula:
C20H27N7O2
M.W.:
397.48
Type:
Small molecule
AlogP:
2.14
Polar Surface Area:
100.36
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA2349190 Name:
2-{[2-((S)-1-Hydroxymethylpropylamino)-9-isopropyl
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Mol. Formula:
C20H28N6O3
M.W.:
400.48
Type:
Small molecule
AlogP:
2.92
Polar Surface Area:
117.35
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2349189 Name:
2-{[2-((R)-1-Hydroxymethylpropylamino)-9-isopropyl
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Mol. Formula:
C20H28N6O3
M.W.:
400.48
Type:
Small molecule
AlogP:
2.92
Polar Surface Area:
117.35
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA2349188 Name:
(R)-2-[6-(2,3-Dimethoxybenzylamino)-9-isopropyl-9H
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Mol. Formula:
C21H30N6O3
M.W.:
414.51
Type:
Small molecule
AlogP:
3.22
Polar Surface Area:
106.35
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA2347586 Name:
(9-Isopropyl-2-piperazin-1-yl-9H-purin-6-yl)-(4-me
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Mol. Formula:
C20H27N7O
M.W.:
381.48
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
80.13
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2347585 Name:
4-[(9-Isopropyl-2-piperazin-1-yl-9H-purin-6-ylamin
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Mol. Formula:
C19H25N7O
M.W.:
367.46
Type:
Small molecule
AlogP:
2.13
Polar Surface Area:
91.13
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2347579 Name:
(R)-2-[6-(4-Aminobenzylamino)-9-isopropyl-9H-purin
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Mol. Formula:
C19H27N7O
M.W.:
369.47
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
113.91
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA2069710 Name:
N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
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Mol. Formula:
C40H46N10O2
M.W.:
698.88
Type:
Small molecule
AlogP:
6.68
Polar Surface Area:
126.10
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA2069707 Name:
N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
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Mol. Formula:
C40H46N10O2
M.W.:
698.88
Type:
Small molecule
AlogP:
6.68
Polar Surface Area:
126.10
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA2069706 Name:
N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
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Mol. Formula:
C40H42N10O2
M.W.:
694.84
Type:
Small molecule
AlogP:
6.18
Polar Surface Area:
126.10
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA2069620 Name:
N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
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Mol. Formula:
C38H38N10O2
M.W.:
666.79
Type:
Small molecule
AlogP:
5.40
Polar Surface Area:
126.10
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA2069619 Name:
N,N'-((4,4'-(Naphthalene-2,7-diyl)bis(1H-1,2,3-tri
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Mol. Formula:
C40H42N10O2
M.W.:
694.84
Type:
Small molecule
AlogP:
6.18
Polar Surface Area:
126.10
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1914530 Name:
5-(3-(3-fluorophenyl)-3-(1-((2-methyl-6-(4-(methyl
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Mol. Formula:
C32H34FN7O5S
M.W.:
647.73
Type:
Small molecule
AlogP:
4.89
Polar Surface Area:
159.85
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA1914528 Name:
5-(3-(1-((6-(2-chloro-4-(methylsulfonamido)phenoxy
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Mol. Formula:
C32H33ClFN7O5S
M.W.:
682.18
Type:
Small molecule
AlogP:
5.54
Polar Surface Area:
159.85
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA1914527 Name:
5-(3-(3-fluorophenyl)-3-(1-((2-methyl-6-(2-methyl-
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Mol. Formula:
C33H36FN7O5S
M.W.:
661.76
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
159.85
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA1914526 Name:
5-(3-(1-((6-(2-fluoro-4-(methylsulfonamido)phenoxy
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Mol. Formula:
C32H33F2N7O5S
M.W.:
665.72
Type:
Small molecule
AlogP:
5.03
Polar Surface Area:
159.85
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA570968 Name:
(S)-N-methyl-N-((5-(methyl(1-methylpiperidin-4-yl)
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Mol. Formula:
C25H34N6
M.W.:
418.59
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
39.91
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA585722 Name:
(S)-N-((5-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyr
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Mol. Formula:
C24H32N6
M.W.:
404.56
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
39.91
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
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