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ALA3687187 Name:
US8969335, A3
Mol. Formula:
C27H23N5O2
M.W.:
449.51
Type:
Small molecule
AlogP:
5.38
Polar Surface Area:
92.95
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4547610 Name:
3,3,3-Trifluoro-1-(4-{[2-({6-[3-(2-methylpropyl)-1
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Mol. Formula:
C26H29F3N8O2
M.W.:
542.57
Type:
Unknown
AlogP:
4.55
Polar Surface Area:
116.07
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4549459 Name:
3,3,3-Trifluoro-1-{4-[(2-{[6-(3-methyl-1,2,4-oxadi
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Mol. Formula:
C23H23F3N8O2
M.W.:
500.49
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
116.07
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4553949 Name:
3,3,3-Trifluoro-1-{4-[(1R)-1-(2-{[6-(3-methyl-1,2,
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Mol. Formula:
C24H25F3N8O2
M.W.:
514.51
Type:
Unknown
AlogP:
4.22
Polar Surface Area:
116.07
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4552254 Name:
3,3,3-Trifluoro-1-{4-[(2-{[6-(6-methylpyrimidin-4-
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Mol. Formula:
C25H25F3N8O
M.W.:
510.52
Type:
Unknown
AlogP:
4.06
Polar Surface Area:
102.93
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4538751 Name:
3,3,3-Trifluoro-1-{4-[(1R)-1-(2-{[6-(6-methylpyrim
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Mol. Formula:
C26H27F3N8O
M.W.:
524.55
Type:
Unknown
AlogP:
4.62
Polar Surface Area:
102.93
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4538591 Name:
1-(4-{[2-({6-[5-Chloro-6-(dimethylamino)pyrimidin-
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Mol. Formula:
C26H27ClF3N9O
M.W.:
574.01
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
106.17
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
106.17
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4532014 Name:
7-(2-(3-(cyclohexanecarboxamido)propyl)hydrazinyl)
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Mol. Formula:
C30H35N7O3
M.W.:
541.66
Type:
Unknown
AlogP:
4.40
Polar Surface Area:
147.05
HBA:
7
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4483062 Name:
2-Cyclopropyl-1-{4-[(2-{[6-(3-methyl-1,2,4-oxadiaz
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Mol. Formula:
C25H28N8O2
M.W.:
472.55
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
116.07
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4545291 Name:
tert-Butyl 4-[(2-{[6-(3-methyl-1,2,4-oxadiazol-5-y
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Mol. Formula:
C25H30N8O3
M.W.:
490.57
Type:
Unknown
AlogP:
4.11
Polar Surface Area:
125.30
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4543618 Name:
3,3,3-Trifluoro-1-{4-[(1R)-1-{2-[(6-{5-[(propan-2-
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Mol. Formula:
C28H31F3N8O2
M.W.:
568.60
Type:
Unknown
AlogP:
5.10
Polar Surface Area:
112.16
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4524534 Name:
3,3,3-Trifluoro-1-{4-[(2-{[6-(3-methyl-1,2,4-oxadi
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Mol. Formula:
C23H21F3N8O3
M.W.:
514.47
Type:
Unknown
AlogP:
3.30
Polar Surface Area:
133.14
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4521346 Name:
2-{4-[(2-{[6-(3-Methyl-1,2,4-oxadiazol-5-yl)-1H-be
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Mol. Formula:
C22H26N8O2
M.W.:
434.50
Type:
Unknown
AlogP:
2.17
Polar Surface Area:
119.23
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4594167 Name:
3,3,3-Trifluoro-1-(4-{[2-({6-[6-(methylamino)pyrim
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Mol. Formula:
C25H26F3N9O
M.W.:
525.54
Type:
Unknown
AlogP:
3.80
Polar Surface Area:
114.96
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4587843 Name:
N-(4-{[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl}
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Mol. Formula:
C22H24F2N8O
M.W.:
454.49
Type:
Unknown
AlogP:
3.44
Polar Surface Area:
99.00
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4582703 Name:
N-(3,4-dimethoxy-5-(3-(4-methylpiperazin-1-yl)prop
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Mol. Formula:
C28H35N7O4
M.W.:
533.63
Type:
Unknown
AlogP:
3.60
Polar Surface Area:
99.03
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4577511 Name:
3,3,3-Trifluoro-1-{4-[(1S)-1-(2-{[6-(3-methyl-1,2,
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Mol. Formula:
C24H25F3N8O2
M.W.:
514.51
Type:
Unknown
AlogP:
4.22
Polar Surface Area:
116.07
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4575832 Name:
6-(3-Methyl-1,2,4-oxadiazol-5-yl)-N-{4-[(piperazin
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Mol. Formula:
C20H22N8O
M.W.:
390.45
Type:
Unknown
AlogP:
2.47
Polar Surface Area:
107.79
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4573638 Name:
Cyclobutyl{4-[(2-{[6-(3-methyl-1,2,4-oxadiazol-5-y
Show More⌵
Mol. Formula:
C25H28N8O2
M.W.:
472.55
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
116.07
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
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