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ALA4515081 Name:
2-ethyl-3-(2,4-dibromo-3-hydroxybenzoyl)benzofuran
Mol. Formula:
C17H12Br2O3
M.W.:
424.09
Type:
Unknown
AlogP:
5.46
Polar Surface Area:
50.44
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5280514 Name:
Quadranoside I
Mol. Formula:
C36H58O9
M.W.:
634.85
Type:
---
AlogP:
3.32
Polar Surface Area:
156.91
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5278543 Name:
Negleschidilactone B
Mol. Formula:
C29H34O12
M.W.:
574.58
Type:
---
AlogP:
-0.13
Polar Surface Area:
167.42
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5278445 Name:
Methyl quadrangularate N
Mol. Formula:
C31H46O6
M.W.:
514.70
Type:
---
AlogP:
4.65
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5278211 Name:
Potentillanoside A
Mol. Formula:
C36H56O10
M.W.:
648.83
Type:
---
AlogP:
2.64
Polar Surface Area:
173.98
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5287392 Name:
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl
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Mol. Formula:
C36H58O11
M.W.:
666.85
Type:
---
AlogP:
1.26
Polar Surface Area:
197.37
HBA:
11
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5286887 Name:
Quadranoside II
Mol. Formula:
C36H58O10
M.W.:
650.85
Type:
---
AlogP:
2.29
Polar Surface Area:
177.14
HBA:
10
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5285799 Name:
Micrandilactone A
Mol. Formula:
C29H36O12
M.W.:
576.60
Type:
---
AlogP:
-0.29
Polar Surface Area:
175.12
HBA:
12
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5285421 Name:
Henridilactone D
Mol. Formula:
C29H36O10
M.W.:
544.60
Type:
---
AlogP:
1.48
Polar Surface Area:
134.66
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5289820 Name:
11beta-Hydroxylkadsuphilactone A
Mol. Formula:
C30H44O7
M.W.:
516.68
Type:
---
AlogP:
4.68
Polar Surface Area:
99.13
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5288461 Name:
Propindilactone D
Mol. Formula:
C29H34O11
M.W.:
558.58
Type:
---
AlogP:
0.76
Polar Surface Area:
147.19
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5288439 Name:
(1S,4aR,6aR,6bR,8aR,10R,11R,12aS,12bR,14aR,14bR)-1
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Mol. Formula:
C30H48O5
M.W.:
488.71
Type:
---
AlogP:
5.03
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5284619 Name:
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl
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Mol. Formula:
C36H58O11
M.W.:
666.85
Type:
---
AlogP:
1.26
Polar Surface Area:
197.37
HBA:
11
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5284510 Name:
6alpha-hydroxyhovenic acid
Mol. Formula:
C30H48O6
M.W.:
504.71
Type:
---
AlogP:
4.00
Polar Surface Area:
118.22
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5275505 Name:
(4aS,6aR,6bR,8aR,9S,10R,11R,12aS,12bR,14aR,14bR)-1
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Mol. Formula:
C30H48O5
M.W.:
488.71
Type:
---
AlogP:
5.03
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5275275 Name:
(1S,4aR,6aR,6bR,8R,8aR,10R,11R,12aR,12bR,14aR,14bR
Show More⌵
Mol. Formula:
C30H48O6
M.W.:
504.71
Type:
---
AlogP:
4.00
Polar Surface Area:
118.22
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5272789 Name:
Quadrangularic acid M
Mol. Formula:
C30H48O5
M.W.:
488.71
Type:
---
AlogP:
5.18
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5266211 Name:
Norquadrangularic acid B
Mol. Formula:
C30H50O6
M.W.:
506.72
Type:
---
AlogP:
4.23
Polar Surface Area:
118.22
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5265770 Name:
(1S,4aR,6aR,6bR,8aR,9R,10R,11R,12aS,12bR,14aR,14bR
Show More⌵
Mol. Formula:
C30H48O6
M.W.:
504.71
Type:
---
AlogP:
4.00
Polar Surface Area:
118.22
HBA:
5
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
Type:
---
AlogP:
3.76
Polar Surface Area:
76.66
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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