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ALA4763871 Name:
8-[(1S,2S)-2-hydroxy-2-methyl-cyclopentyl]-2-[(1-t
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Mol. Formula:
C21H26N6O4S2
M.W.:
490.61
Type:
Unknown
AlogP:
1.99
Polar Surface Area:
130.31
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4757341 Name:
4-[[8-[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]-7-o
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Mol. Formula:
C19H28N6O4S
M.W.:
436.54
Type:
Unknown
AlogP:
0.61
Polar Surface Area:
129.45
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4753883 Name:
4-[(8-cycloheptyl-7-oxo-pyrido[2,3-d]pyrimidin-2-y
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Mol. Formula:
C19H28N6O3S
M.W.:
420.54
Type:
Unknown
AlogP:
1.77
Polar Surface Area:
123.21
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4800105 Name:
2-[8-[(1R,3R)-3-hydroxycyclohexyl]-2-[(1-methylsul
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Mol. Formula:
C21H30N6O5S
M.W.:
478.58
Type:
Unknown
AlogP:
0.13
Polar Surface Area:
160.51
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4798327 Name:
4-[[6-chloro-8-[(1R,2R)-2-hydroxy-2-methyl-cyclope
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Mol. Formula:
C19H27ClN6O4S
M.W.:
470.98
Type:
Unknown
AlogP:
1.26
Polar Surface Area:
129.45
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4797526 Name:
4-[[8-[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]-7-o
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Mol. Formula:
C18H26N6O4S
M.W.:
422.51
Type:
Unknown
AlogP:
0.35
Polar Surface Area:
143.44
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4103338 Name:
4-(Furo[2,3-d]pyrimidin-4-ylamino)-N-(4-((4-methyl
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Mol. Formula:
C22H24N8O2
M.W.:
432.49
Type:
Small molecule
AlogP:
2.69
Polar Surface Area:
115.21
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4061686 Name:
N-(4-((4-Methylpiperazin-1-yl)methyl)phenyl)-4-(th
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Mol. Formula:
C22H24N8OS
M.W.:
448.56
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
102.07
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4748471 Name:
8-[(1R,2S,3R)-3-hydroxy-2-methyl-cyclopentyl]-2-[(
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Mol. Formula:
C19H27N5O4S
M.W.:
421.52
Type:
Unknown
AlogP:
0.96
Polar Surface Area:
117.42
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4747638 Name:
2-[[1-(cyclopropylmethylsulfonyl)-4-piperidyl]amin
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Mol. Formula:
C22H31N5O4S
M.W.:
461.59
Type:
Unknown
AlogP:
1.88
Polar Surface Area:
117.42
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4755392 Name:
6-chloro-8-cyclopentyl-2-[[(3S,4R)-3-fluoro-1-meth
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Mol. Formula:
C18H23ClFN5O3S
M.W.:
443.93
Type:
Unknown
AlogP:
2.34
Polar Surface Area:
97.19
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5207078 Name:
tert-butyl 4-(6-((4-(benzo[d][1,3]dioxol-5-yl)-5-f
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Mol. Formula:
C25H27FN6O4
M.W.:
494.53
Type:
---
AlogP:
4.21
Polar Surface Area:
101.94
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5205035 Name:
6-(5-Fluoro-2-((5-(piperazin-1-yl)pyridin-2-yl)ami
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Mol. Formula:
C25H28FN7O
M.W.:
461.55
Type:
---
AlogP:
3.24
Polar Surface Area:
86.28
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5202493 Name:
tert-butyl 4-(6-((4-(2,3-dihydrobenzo[b][1,4]dioxi
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Mol. Formula:
C26H29FN6O4
M.W.:
508.55
Type:
---
AlogP:
4.25
Polar Surface Area:
101.94
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5200408 Name:
(6-((4-(Benzo[d][1,3]dioxol-5-yl)-5-fluoropyrimidi
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Mol. Formula:
C23H23FN6O3
M.W.:
450.47
Type:
---
AlogP:
2.93
Polar Surface Area:
92.71
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5198075 Name:
4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-5-fluoro-N
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Mol. Formula:
C25H29FN6O2
M.W.:
464.55
Type:
---
AlogP:
3.72
Polar Surface Area:
75.64
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5197866 Name:
(6-((4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-5-flu
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Mol. Formula:
C24H25FN6O3
M.W.:
464.50
Type:
---
AlogP:
2.97
Polar Surface Area:
92.71
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5197501 Name:
4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-N-(5-((4-e
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Mol. Formula:
C24H27FN6O2
M.W.:
450.52
Type:
---
AlogP:
3.33
Polar Surface Area:
75.64
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5195801 Name:
6-(5-Fluoro-2-((5-((4-isopropylpiperazin-1-yl)meth
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Mol. Formula:
C29H36FN7O
M.W.:
517.65
Type:
---
AlogP:
4.63
Polar Surface Area:
77.49
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5195468 Name:
6-(5-Fluoro-2-((5-((4-isopropylpiperazin-1-yl)meth
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Mol. Formula:
C29H36FN7O
M.W.:
517.65
Type:
---
AlogP:
4.35
Polar Surface Area:
77.49
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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