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ALA4791259 Name:
1-(8-isopropyl-5-methyl-2-((5,6,7,8-tetrahydro-1,6
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Mol. Formula:
C23H25N7O
M.W.:
415.50
Type:
Unknown
AlogP:
3.70
Polar Surface Area:
97.10
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
Type:
Unknown
AlogP:
6.37
Polar Surface Area:
104.51
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4546255 Name:
5-fluoro-4-((R)-4-methyl-5,6,7,8-tetrahydro-4H-pyr
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Mol. Formula:
C22H26FN7O
M.W.:
423.50
Type:
Unknown
AlogP:
3.74
Polar Surface Area:
80.99
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4550287 Name:
N-(4-(1-(1-cyclopropylethyl)-4-fluoro-2-methyl-1H-
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Mol. Formula:
C29H34F2N8
M.W.:
532.64
Type:
Unknown
AlogP:
5.11
Polar Surface Area:
75.00
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4549013 Name:
N-(4-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1
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Mol. Formula:
C33H28F5N7O2
M.W.:
649.62
Type:
Unknown
AlogP:
7.78
Polar Surface Area:
113.83
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4777368 Name:
8-isopropyl-5-methyl-2((4-(piperazin-1-yl)phenyl)a
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Mol. Formula:
C24H26N8
M.W.:
426.53
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
94.17
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4777250 Name:
2-((4-chlorophenyl)amino)-5,8-dimethylimidazo[1',2
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Mol. Formula:
C18H13ClN6
M.W.:
348.80
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
78.90
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4525034 Name:
diethyl(2-(2-((5-fluoro-4-(4-fluoro-1-isopropyl-2-
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Mol. Formula:
C30H39F2N8O3P
M.W.:
628.67
Type:
Unknown
AlogP:
6.27
Polar Surface Area:
110.53
HBA:
10
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4556152 Name:
7-Cyclopentyl-2-((2-hydroxy-4-((5-isothiocyanatope
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Mol. Formula:
C27H33N7O3S
M.W.:
535.67
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
124.74
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4752291 Name:
8-[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]-2-[(1-m
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Mol. Formula:
C19H27N5O4S
M.W.:
421.52
Type:
Unknown
AlogP:
1.10
Polar Surface Area:
117.42
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4794123 Name:
1-(8-isopropyl-5-methyl-2-(6-(2-(methylamino)ethyl
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Mol. Formula:
C26H32N8O
M.W.:
472.60
Type:
Unknown
AlogP:
3.63
Polar Surface Area:
100.34
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4793422 Name:
5,8-dimethyl-2-(phenylamino)imidazo[1',2':1,6]pyri
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Mol. Formula:
C18H14N6
M.W.:
314.35
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
78.90
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4792839 Name:
1-(5-methyl-2((4-(piperazin-1-yl)phenyl)amino)-8-(
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Mol. Formula:
C27H30N8O2
M.W.:
498.59
Type:
Unknown
AlogP:
3.18
Polar Surface Area:
107.76
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4792101 Name:
1-(8-isopropyl-5-methyl-2-(5-(piperazin-1-ylmethyl
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Mol. Formula:
C25H30N8O
M.W.:
458.57
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
100.34
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4556974 Name:
7-Cyclopentyl-2-((4-(N-(5-isothiocyanatopentyl)sul
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Mol. Formula:
C26H33N7O3S2
M.W.:
555.73
Type:
Unknown
AlogP:
4.54
Polar Surface Area:
121.58
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4797327 Name:
5,8-dimethyl-2((4-(piperazin-1-yl)phenyl)amino)imi
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Mol. Formula:
C22H22N8
M.W.:
398.47
Type:
Unknown
AlogP:
2.92
Polar Surface Area:
94.17
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4796501 Name:
6-chloro-8-cyclopentyl-2-[(1-methylsulfonyl-4-pipe
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Mol. Formula:
C18H24ClN5O3S
M.W.:
425.94
Type:
Unknown
AlogP:
2.40
Polar Surface Area:
97.19
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4554252 Name:
7-Cyclopentyl-2-((2-(8-isothiocyanatooctanamido)ph
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Mol. Formula:
C29H37N7O2S
M.W.:
547.73
Type:
Unknown
AlogP:
6.37
Polar Surface Area:
104.51
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4554083 Name:
7-Cyclopentyl-2-((5-((6-isothiocyanatohexyl)carbam
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Mol. Formula:
C27H34N8O2S
M.W.:
534.69
Type:
Unknown
AlogP:
4.78
Polar Surface Area:
117.40
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4551412 Name:
7-Cyclopentyl-2-((2-hydroxy-4-((6-isothiocyanatohe
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Mol. Formula:
C28H35N7O3S
M.W.:
549.70
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
124.74
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
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