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ALA5178572 Name:
3-(1-methyl-9H-pyrido[3,4-b]indol-3-yl)acrylic aci
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Mol. Formula:
C15H12N2O2
M.W.:
252.27
Type:
---
AlogP:
3.12
Polar Surface Area:
65.98
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2251529 Name:
(E)-methyl 2-(2-(((1,3-dimethyl-5-(2,2,2-trifluoro
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Mol. Formula:
C19H21F3N4O5
M.W.:
442.39
Type:
Small molecule
AlogP:
2.74
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2251528 Name:
(E)-methyl 2-(2-(((1,3-dimethyl-5-propoxy-1H-pyraz
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Mol. Formula:
C20H26N4O5
M.W.:
402.45
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2251527 Name:
(E)-methyl 2-(2-(((5-ethoxy-1,3-dimethyl-1H-pyrazo
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Mol. Formula:
C19H24N4O5
M.W.:
388.42
Type:
Small molecule
AlogP:
2.20
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA2251526 Name:
(E)-methyl 2-(2-(((5-methoxy-1,3-dimethyl-1H-pyraz
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Mol. Formula:
C18H22N4O5
M.W.:
374.40
Type:
Small molecule
AlogP:
1.81
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2251525 Name:
(E)-methyl 2-(2-(((1,3-dimethyl-5-(3-(trifluoromet
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Mol. Formula:
C24H23F3N4O5
M.W.:
504.47
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA2251524 Name:
(E)-methyl 2-(2-(((5-(4-fluorophenoxy)-1,3-dimethy
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Mol. Formula:
C23H23FN4O5
M.W.:
454.46
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2251523 Name:
(E)-methyl 2-(2-(((5-(2-fluorophenoxy)-1,3-dimethy
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Mol. Formula:
C23H23FN4O5
M.W.:
454.46
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2251522 Name:
(E)-methyl 2-(2-(((1,3-dimethyl-5-(3-nitrophenoxy)
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Mol. Formula:
C23H23N5O7
M.W.:
481.47
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
139.67
HBA:
11
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA2251521 Name:
(E)-methyl 2-(2-(((5-(2,4-dichlorophenoxy)-1,3-dim
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Mol. Formula:
C23H22Cl2N4O5
M.W.:
505.36
Type:
Small molecule
AlogP:
4.90
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA2251520 Name:
(E)-methyl 2-(2-(((5-(4-chlorophenoxy)-1,3-dimethy
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Mol. Formula:
C23H23ClN4O5
M.W.:
470.91
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA2251519 Name:
(E)-methyl 2-(2-(((1,3-dimethyl-5-(m-tolyloxy)-1H-
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Mol. Formula:
C24H26N4O5
M.W.:
450.50
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2251518 Name:
(E)-methyl 2-(2-(((1,3-dimethyl-5-(o-tolyloxy)-1H-
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Mol. Formula:
C24H26N4O5
M.W.:
450.50
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2251517 Name:
(E)-methyl 2-(2-((1,3-dimethyl-5-(p-tolyloxy)-1H-p
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Mol. Formula:
C24H26N4O5
M.W.:
450.50
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
96.53
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA585679 Name:
5-Methyl-3-phenyl-2-p-tolyloxy-8,9,10,11-tetrahydr
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Mol. Formula:
C27H23N3O2S
M.W.:
453.57
Type:
Small molecule
AlogP:
6.28
Polar Surface Area:
57.01
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA566702 Name:
5-Methyl-2-phenoxy-3-phenyl-8,9,10,11-tetrahydro-3
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Mol. Formula:
C26H21N3O2S
M.W.:
439.54
Type:
Small molecule
AlogP:
5.97
Polar Surface Area:
57.01
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA583227 Name:
2-(2,4-Difluoro-phenoxy)-5-methyl-3-phenyl-8,9,10,
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Mol. Formula:
C26H19F2N3O2S
M.W.:
475.52
Type:
Small molecule
AlogP:
6.25
Polar Surface Area:
57.01
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA443368 Name:
7alpha-Acetoxymultiplolide A
Mol. Formula:
C12H16O6
M.W.:
256.25
Type:
Small molecule
AlogP:
-0.06
Polar Surface Area:
85.36
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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