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ALA5285377 Name:
Mol. Formula:
C21H20N4O3
M.W.:
376.42
Type:
---
AlogP:
5.09
Polar Surface Area:
89.97
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5280240 Name:
ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]
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Mol. Formula:
C17H18N2O4
M.W.:
314.34
Type:
---
AlogP:
3.05
Polar Surface Area:
73.44
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5291368 Name:
Mol. Formula:
C19H18N4O3
M.W.:
350.38
Type:
---
AlogP:
3.37
Polar Surface Area:
89.99
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5290746 Name:
methyl 6-(benzylamino)-9H-pyrido[3,4-b]indole-3-ca
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Mol. Formula:
C20H17N3O2
M.W.:
331.38
Type:
---
AlogP:
4.11
Polar Surface Area:
67.01
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5290464 Name:
ethyl 6-hydroxy-4-(methoxymethyl)-9H-pyrido[3,4-b]
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Mol. Formula:
C16H16N2O4
M.W.:
300.31
Type:
---
AlogP:
2.74
Polar Surface Area:
84.44
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5289687 Name:
2-(benzyloxy)-7,12-dihydropyrido[3,2-b:5,4-b']diin
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Mol. Formula:
C24H17N3O
M.W.:
363.42
Type:
---
AlogP:
5.93
Polar Surface Area:
53.70
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA1161036 Name:
(R-5135) 3-Hydroxy-16-imino-10,13-dimethyl-11-oxo-
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Mol. Formula:
C18H28N2O2
M.W.:
304.43
Type:
Small molecule
AlogP:
2.50
Polar Surface Area:
73.18
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5276119 Name:
methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxyl
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Mol. Formula:
C13H10N2O3
M.W.:
242.23
Type:
---
AlogP:
2.21
Polar Surface Area:
75.21
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5271392 Name:
Mol. Formula:
C22H24N2O4
M.W.:
380.44
Type:
---
AlogP:
5.30
Polar Surface Area:
77.35
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5266558 Name:
9H-pyrido[3,4-b]indole-3-carbonitrile
Mol. Formula:
C12H7N3
M.W.:
193.21
Type:
---
AlogP:
2.59
Polar Surface Area:
52.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.60
DETAILS
CLOSE
ALA5266498 Name:
ethyl 4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-c
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Mol. Formula:
C16H16N2O3
M.W.:
284.31
Type:
---
AlogP:
3.04
Polar Surface Area:
64.21
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5265845 Name:
Mol. Formula:
C23H24N4O3
M.W.:
404.47
Type:
---
AlogP:
4.25
Polar Surface Area:
89.99
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3427548 Name:
3alpha-Hydroxy-3beta-methyl-21-(pyrazolo[4',3'-b]p
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Mol. Formula:
C27H37N3O2
M.W.:
435.61
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3427547 Name:
3alpha-Hydroxy-3beta-methyl-21-(pyrazolo[4',3'-b]p
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Mol. Formula:
C27H37N3O2
M.W.:
435.61
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3427546 Name:
3alpha-Hydroxy-3beta-methyl-21-(pyrazolo[4',3'-c]p
Show More⌵
Mol. Formula:
C27H37N3O2
M.W.:
435.61
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3427545 Name:
3alpha-Hydroxy-3beta-methyl-21-(pyrazolo[4',3'-c]p
Show More⌵
Mol. Formula:
C27H37N3O2
M.W.:
435.61
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3427544 Name:
3alpha-Hydroxy-3beta-methyl-21-(pyrazolo[3',4'-c]p
Show More⌵
Mol. Formula:
C27H37N3O2
M.W.:
435.61
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3427543 Name:
3alpha-Hydroxy-3beta-methyl-21-(pyrazolo[3',4'-c]p
Show More⌵
Mol. Formula:
C27H37N3O2
M.W.:
435.61
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3427542 Name:
3alpha-Hydroxy-3beta-methyl-21-(pyrazolo[3',4'-b]p
Show More⌵
Mol. Formula:
C27H37N3O2
M.W.:
435.61
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3427541 Name:
3alpha-Hydroxy-3beta-methyl-21-(pyrazolo[3',4'-b]p
Show More⌵
Mol. Formula:
C27H37N3O2
M.W.:
435.61
Type:
Small molecule
AlogP:
5.02
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
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