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ALA5282153 Name:
Hopeanol
Mol. Formula:
C29H22O9
M.W.:
514.49
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.31
Polar Surface Area:
161.59
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5290051 Name:
Hopeahainol A
Mol. Formula:
C28H16O8
M.W.:
480.43
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.41
Polar Surface Area:
141.36
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5289404 Name:
2-(4-(5-amino-3-hydroxy-1H-pyrazol-1-yl)-3-phenylthiazol-2(3H)-ylidene)-malShow More⌵
Mol. Formula:
C15H10N6OS
M.W.:
322.35
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.44
Polar Surface Area:
114.89
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5287603 Name:
3-(5-(5-amino-3-hydroxy-1H-pyrazol-1-yl)-3-phenylthiazol-2(3H)-ylidene)-penShow More⌵
Mol. Formula:
C17H16N4O3S
M.W.:
356.41
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.57
Polar Surface Area:
101.45
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5199670 Name:
Neocucurbol C
Mol. Formula:
C20H28O4
M.W.:
332.44
Type:
---
AlogP:
2.23
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5199561 Name:
Neocucurbol G
Mol. Formula:
C20H32O2
M.W.:
304.47
Type:
---
AlogP:
4.08
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5194046 Name:
Neocucurbol H
Mol. Formula:
C20H32O3
M.W.:
320.47
Type:
---
AlogP:
3.29
Polar Surface Area:
52.99
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5193678 Name:
Neocucurbol A
Mol. Formula:
C20H28O4
M.W.:
332.44
Type:
---
AlogP:
1.94
Polar Surface Area:
69.92
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5191592 Name:
Neocucurbol D
Mol. Formula:
C20H28O3
M.W.:
316.44
Type:
---
AlogP:
2.97
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5182430 Name:
(3aR,5aR,6R,8aR)-3a-hydroxy-3-(2-hydroxyethyl)-5a-methyl-6-[(E,1R,4R)-1,4,5Show More⌵
Mol. Formula:
C23H37NO3
M.W.:
375.55
Type:
---
AlogP:
3.75
Polar Surface Area:
60.77
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5181067 Name:
Neocucurbol F
Mol. Formula:
C20H34O3
M.W.:
322.49
Type:
---
AlogP:
3.28
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5180844 Name:
Neocucurbol E
Mol. Formula:
C20H32O2
M.W.:
304.47
Type:
---
AlogP:
4.08
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5178240 Name:
Phomeroid B
Mol. Formula:
C34H42O9
M.W.:
594.70
Type:
---
AlogP:
4.59
Polar Surface Area:
128.59
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5178049 Name:
Neocucurbol B
Mol. Formula:
C20H28O4
M.W.:
332.44
Type:
---
AlogP:
1.94
Polar Surface Area:
69.92
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5172710 Name:
Photeroid A
Mol. Formula:
C23H32O3
M.W.:
356.51
Type:
---
AlogP:
4.77
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5172450 Name:
Photeroid B
Mol. Formula:
C23H30O2
M.W.:
338.49
Type:
---
AlogP:
5.58
Polar Surface Area:
29.46
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4876715 Name:
Drimianin B; 3beta-ethoxy-11beta,14beta-dihydroxybufa-4,20,22-trienolide
Mol. Formula:
C26H36O5
M.W.:
428.57
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
79.90
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4867344 Name:
Difluostatin I
Mol. Formula:
C36H22N2O10
M.W.:
642.58
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
196.48
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4867036 Name:
Drimianin F; 3a,11beta,14beta-trihydroxybufa-4,20,22-trienolide
Mol. Formula:
C24H32O5
M.W.:
400.51
Type:
Unknown
AlogP:
3.13
Polar Surface Area:
90.90
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4866957 Name:
Drimianin E; 3beta-(O-beta-D-glucopyranoside)-11beta,14beta,19-trihydroxybuShow More⌵
Mol. Formula:
C30H42O11
M.W.:
578.66
Type:
Unknown
AlogP:
-0.07
Polar Surface Area:
190.28
HBA:
11
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
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