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ALA4475230 Name:
N-(4-(trifluoromethyl)phenyl)-1H-indazole-3-carbox
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Mol. Formula:
C15H10F3N3O
M.W.:
305.26
Type:
Unknown
AlogP:
3.83
Polar Surface Area:
57.78
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4474995 Name:
(6-bromo-5-nitro-1H-indazol-1-yl)(2-chlorophenyl)m
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Mol. Formula:
C14H7BrClN3O3
M.W.:
380.58
Type:
Unknown
AlogP:
4.05
Polar Surface Area:
78.03
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4540638 Name:
N-(4-(trifluoromethoxy)phenyl)-1H-indazole-3-carbo
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Cas Number:
946209-24-1
Mol. Formula:
C15H10F3N3O2
M.W.:
321.26
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
67.01
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4862047 Name:
(5R,5aS,8aR,9R)-5-[4-[(4-methoxyphenoxy)methyl]tri
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Mol. Formula:
C32H31N3O9
M.W.:
601.61
Type:
Unknown
AlogP:
4.14
Polar Surface Area:
121.62
HBA:
12
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4859731 Name:
NA
Mol. Formula:
C33H33N3O9S
M.W.:
647.71
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
121.62
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4859670 Name:
NA
Mol. Formula:
C43H41N3O12
M.W.:
791.81
Type:
Unknown
AlogP:
6.06
Polar Surface Area:
157.15
HBA:
15
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4858587 Name:
NA
Mol. Formula:
C32H31N3O8S
M.W.:
617.68
Type:
Unknown
AlogP:
4.86
Polar Surface Area:
112.39
HBA:
12
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4878351 Name:
(5R,5aS,8aR,9R)-5-[4-[(4-nitrophenoxy)methyl]triaz
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Mol. Formula:
C31H28N4O10
M.W.:
616.58
Type:
Unknown
AlogP:
4.04
Polar Surface Area:
155.53
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4877536 Name:
(5R,5aS,8aR,9R)-5-[4-[(4-ethylphenoxy)methyl]triaz
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Mol. Formula:
C33H33N3O8
M.W.:
599.64
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
112.39
HBA:
11
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4876946 Name:
NA
Mol. Formula:
C35H37N3O8
M.W.:
627.69
Type:
Unknown
AlogP:
5.43
Polar Surface Area:
112.39
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4874281 Name:
NA
Mol. Formula:
C34H29N3O10
M.W.:
639.62
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
142.60
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4849883 Name:
NA
Mol. Formula:
C42H36F3N3O10
M.W.:
799.76
Type:
Unknown
AlogP:
7.06
Polar Surface Area:
138.69
HBA:
13
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4846608 Name:
NA
Mol. Formula:
C43H42N4O10
M.W.:
774.83
Type:
Unknown
AlogP:
6.11
Polar Surface Area:
141.93
HBA:
14
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4846267 Name:
NA
Mol. Formula:
C32H29N3O10
M.W.:
615.60
Type:
Unknown
AlogP:
3.86
Polar Surface Area:
130.85
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4846145 Name:
NA
Mol. Formula:
C40H36N4O10
M.W.:
732.75
Type:
Unknown
AlogP:
5.44
Polar Surface Area:
151.58
HBA:
14
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5282230 Name:
(3E,5E)-3,5-bis(2,3,5-trimethoxybenzylidene)piperi
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Mol. Formula:
C25H29NO7
M.W.:
455.51
Type:
---
AlogP:
3.38
Polar Surface Area:
84.48
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4864088 Name:
NA
Mol. Formula:
C34H35N3O9
M.W.:
629.67
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
121.62
HBA:
12
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4863135 Name:
NA
Mol. Formula:
C44H43N3O13
M.W.:
821.84
Type:
Unknown
AlogP:
6.07
Polar Surface Area:
166.38
HBA:
16
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4862367 Name:
NA
Mol. Formula:
C39H35N3O10S
M.W.:
737.79
Type:
Unknown
AlogP:
6.10
Polar Surface Area:
138.69
HBA:
14
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4855816 Name:
NA
Mol. Formula:
C34H33N3O10
M.W.:
643.65
Type:
Unknown
AlogP:
4.35
Polar Surface Area:
138.69
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
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