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ALA4873486 Name:
4-((E)-7'-Methoxy-2,2,2',2'-tetramethyl-2,3,2',3'-
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Mol. Formula:
C31H39NO5
M.W.:
505.66
Type:
Unknown
AlogP:
6.51
Polar Surface Area:
57.23
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5287420 Name:
2-Amino-8-ethyl-4-(5-methoxy-2-methyl-1H-indol-3-y
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Mol. Formula:
C31H27N5O3
M.W.:
517.59
Type:
---
AlogP:
5.18
Polar Surface Area:
118.95
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5286911 Name:
2-Amino-6-(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-y
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Mol. Formula:
C32H29N5O2
M.W.:
515.62
Type:
---
AlogP:
6.21
Polar Surface Area:
109.72
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5286541 Name:
3-ethyl-2-methyl-3,4-dihydroquinazolin-4-one
Mol. Formula:
C11H12N2O
M.W.:
188.23
Type:
---
AlogP:
1.72
Polar Surface Area:
34.89
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.68
DETAILS
CLOSE
ALA5285667 Name:
2-Amino-8-(tert-butyl)-4-(2-methyl-1H-indol-3-yl)-
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Mol. Formula:
C31H27N5O2
M.W.:
501.59
Type:
---
AlogP:
5.90
Polar Surface Area:
120.58
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5284562 Name:
2-Amino-6-(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-y
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Mol. Formula:
C30H25N5O2
M.W.:
487.56
Type:
---
AlogP:
5.40
Polar Surface Area:
109.72
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5284498 Name:
2-Amino-4-(2-methyl-1H-indol-3-yl)-6-(3-methyl-4-o
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Mol. Formula:
C31H27N5O2
M.W.:
501.59
Type:
---
AlogP:
5.56
Polar Surface Area:
109.72
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5281368 Name:
2-Amino-8-(tert-butyl)-4-(5-chloro-2-methyl-1H-ind
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Mol. Formula:
C32H28ClN5O2
M.W.:
550.06
Type:
---
AlogP:
6.56
Polar Surface Area:
109.72
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5280861 Name:
2-Amino-8-(tert-butyl)-4-(5-methoxy-2-methyl-1H-in
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Mol. Formula:
C33H31N5O3
M.W.:
545.64
Type:
---
AlogP:
5.91
Polar Surface Area:
118.95
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5280166 Name:
2-Amino-4-(5-methoxy-2-methyl-1H-indol-3-yl)-8-met
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Mol. Formula:
C30H25N5O3
M.W.:
503.56
Type:
---
AlogP:
4.93
Polar Surface Area:
118.95
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5279547 Name:
2-amino-6-(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-y
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Mol. Formula:
C21H18N4O2
M.W.:
358.40
Type:
---
AlogP:
3.02
Polar Surface Area:
93.93
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5279507 Name:
2-amino-4H-chromene-3-carbonitrile
Mol. Formula:
C10H8N2O
M.W.:
172.19
Type:
---
AlogP:
1.27
Polar Surface Area:
59.04
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.64
DETAILS
CLOSE
ALA5279224 Name:
2-Amino-8-ethyl-4-(2-methyl-1H-indol-3-yl)-6-(3-me
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Mol. Formula:
C30H25N5O2
M.W.:
487.56
Type:
---
AlogP:
5.17
Polar Surface Area:
109.72
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5278983 Name:
2-Amino-8-ethyl-4-(2-methyl-1H-indol-3-yl)-6-(4-ox
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Mol. Formula:
C29H23N5O2
M.W.:
473.54
Type:
---
AlogP:
5.16
Polar Surface Area:
120.58
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5278352 Name:
2-Amino-4-(5-methoxy-2-methyl-1H-indol-3-yl-6-(3-m
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Mol. Formula:
C32H29N5O3
M.W.:
531.62
Type:
---
AlogP:
5.57
Polar Surface Area:
118.95
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4866403 Name:
4-((E)-7'-Methoxy-2,2,2',2'-tetramethyl-2,3,2',3'-
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Mol. Formula:
C32H42N2O5
M.W.:
534.70
Type:
Unknown
AlogP:
5.66
Polar Surface Area:
60.47
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4863210 Name:
{6-[6-((E)-7'-Methoxy-2,2,2',2'-tetramethyl-2,3,2'
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Mol. Formula:
C38H54N2O7
M.W.:
650.86
Type:
Unknown
AlogP:
8.09
Polar Surface Area:
104.35
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5291244 Name:
2-Amino-4-(5-chloro-2-methyl-1H-indol-3-yl)-8-meth
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Mol. Formula:
C29H22ClN5O2
M.W.:
507.98
Type:
---
AlogP:
5.57
Polar Surface Area:
109.72
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5288900 Name:
2-Amino-4-(5-chloro-2-methyl-1H-indol-3-yl)-8-isop
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Mol. Formula:
C31H26ClN5O2
M.W.:
536.04
Type:
---
AlogP:
6.39
Polar Surface Area:
109.72
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4857873 Name:
5-((E)-7'-Methoxy-2,2,2',2'-tetramethyl-2,3,2',3'-
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Mol. Formula:
C33H46N2O5
M.W.:
550.74
Type:
Unknown
AlogP:
6.39
Polar Surface Area:
78.05
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
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