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ALA4105012 Name:
(3aS,9bR)-6,9-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2Show More⌵
Mol. Formula:
C23H21NO4
M.W.:
375.42
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
65.49
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4104615 Name:
(3aS,5aS,8S,9R,9bS)-5a,9-Dimethyl-3-methylene-2-oxododecahydronaphtho[1,2-bShow More⌵
Mol. Formula:
C23H28O4
M.W.:
368.47
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4102445 Name:
(3aS,9bR)-6,9-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2Show More⌵
Mol. Formula:
C24H20F2O4
M.W.:
410.42
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4100955 Name:
(3aS,6R,8S,9bS)-6-Acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,6,6a,7,Show More⌵
Mol. Formula:
C24H25ClO6
M.W.:
444.91
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4100187 Name:
(3aS,6R,8S,9bS)-6-Acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,6,6a,7,Show More⌵
Mol. Formula:
C26H27BrO6
M.W.:
515.40
Type:
Small molecule
AlogP:
4.92
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4099738 Name:
(3aS,9bR)-6,9-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2Show More⌵
Mol. Formula:
C22H20O4S
M.W.:
380.46
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
52.60
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4098658 Name:
(3aS,5aS,8S,9R,9bS)-5a,9-Dimethyl-3-methylene-2-oxododecahydronaphtho[1,2-bShow More⌵
Mol. Formula:
C23H27NO4
M.W.:
381.47
Type:
Small molecule
AlogP:
3.95
Polar Surface Area:
65.49
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4098478 Name:
(3aS,6R,8S,9bS)-6-Acetoxy-6,9-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,6,6a,7,Show More⌵
Mol. Formula:
C26H28O6
M.W.:
436.50
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4098360 Name:
(3aS,9bR)-6,9-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2Show More⌵
Mol. Formula:
C22H20O4
M.W.:
348.40
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4098033 Name:
(3aS,5aS,8S,9R,9bS)-5a,9-dimethyl-3-methylene-2-oxododecahydronaphtho[1,2-bShow More⌵
Mol. Formula:
C22H25IO4
M.W.:
480.34
Type:
Small molecule
AlogP:
4.76
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4097455 Name:
(3aS,9bR)-6,9-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2Show More⌵
Mol. Formula:
C23H19F3O5
M.W.:
432.39
Type:
Small molecule
AlogP:
5.14
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4097313 Name:
(3aS,9bR)-6,9-Dimethyl-3-methylene-8-((2-(trifluoromethyl)-benzyl)oxy)-3a,4Show More⌵
Mol. Formula:
C23H21F3O3
M.W.:
402.41
Type:
Small molecule
AlogP:
5.62
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4096376 Name:
(3aS,5aS,8S,9R,9bS)-5a,9-dimethyl-3-methylene-2-oxododecahydronaphtho[1,2-bShow More⌵
Mol. Formula:
C18H26O4
M.W.:
306.40
Type:
Small molecule
AlogP:
3.25
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4095972 Name:
(3aS,5aS,8S,9R,9bS)-5a,9-Dimethyl-3-methylene-2-oxododecahydronaphtho[1,2-bShow More⌵
Mol. Formula:
C23H25F3O4
M.W.:
422.44
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4095895 Name:
(3aS,5aS,8S,9R,9bS)-5a,9-Dimethyl-3-methylene-2-oxododecahydronaphtho[1,2-bShow More⌵
Mol. Formula:
C22H25ClO4
M.W.:
388.89
Type:
Small molecule
AlogP:
4.81
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4095010 Name:
(3aS,5aS,8S,9R,9bS)-5a,9-Dimethyl-3-methylene-2-oxododecahydronaphtho[1,2-bShow More⌵
Mol. Formula:
C20H24O4S
M.W.:
360.48
Type:
Small molecule
AlogP:
4.22
Polar Surface Area:
52.60
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4093819 Name:
(3aS,9bR)-6,9-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2Show More⌵
Mol. Formula:
C23H22O5
M.W.:
378.42
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4093299 Name:
(3aS,5aS,8S,9R,9bS)-5a,9-dimethyl-3-methylene-2-oxododecahydronaphtho[1,2-bShow More⌵
Mol. Formula:
C20H24O5
M.W.:
344.41
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
65.74
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4089728 Name:
(3aS,9bR)-6,9-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,9bhexahydronaphtho[1,2-Show More⌵
Mol. Formula:
C23H19F3O4
M.W.:
416.39
Type:
Small molecule
AlogP:
5.26
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4089592 Name:
(3aS,9bR)-6,9-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2Show More⌵
Mol. Formula:
C25H24O4
M.W.:
388.46
Type:
Small molecule
AlogP:
4.95
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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