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ALA5269125 Name:
Arbutin
Mol. Formula:
C14H18O8
M.W.:
314.29
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
-0.86
Polar Surface Area:
125.68
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5282230 Name:
(3E,5E)-3,5-bis(2,3,5-trimethoxybenzylidene)piperidin-4-one
Mol. Formula:
C25H29NO7
M.W.:
455.51
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.38
Polar Surface Area:
84.48
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5274398 Name:
4-phenyl-2,6-bis(3,4,5-trimethoxybenzylidene)cyclohexan-1-one
Mol. Formula:
C32H34O7
M.W.:
530.62
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.35
Polar Surface Area:
72.45
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5286773 Name:
2,6-bis(4-nitrobenzylidene)-4-phenylcyclohexan-1-one
Mol. Formula:
C26H20N2O5
M.W.:
440.46
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
6.12
Polar Surface Area:
103.35
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5219417 Name:
dinaphtho[1,2-b:2',3'-d]furan-5,6,7,12-tetraone
Mol. Formula:
C20H8O5
M.W.:
328.28
Type:
---
AlogP:
2.21
Polar Surface Area:
81.42
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5218704 Name:
dinaphtho[2,3-b:2',3'-d]selenophene-5,7,12,13-tetraone
Mol. Formula:
C20H8O4Se
M.W.:
391.24
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5195244 Name:
8alpha-Acetoxyartemin; (1R,5R,6S,7R,8S,10S,11S)-8-acetoxy-1,5-dihydroxy-eudShow More⌵
Mol. Formula:
C17H24O6
M.W.:
324.37
Type:
---
AlogP:
0.95
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5191988 Name:
Lundurine C
Mol. Formula:
C22H26N2O3
M.W.:
366.46
Type:
---
AlogP:
3.82
Polar Surface Area:
42.01
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5188033 Name:
Lundurine B
Mol. Formula:
C22H24N2O3
M.W.:
364.45
Type:
---
AlogP:
3.60
Polar Surface Area:
42.01
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5187193 Name:
Arvestonate A
Mol. Formula:
C16H26O5
M.W.:
298.38
Type:
---
AlogP:
1.01
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5179316 Name:
5-epi-Arvestonate A; methyl (1R,5S,6S,7S,10S,11R)-1,5,6-trihydroxy-eudesmanShow More⌵
Mol. Formula:
C16H26O5
M.W.:
298.38
Type:
---
AlogP:
1.01
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5172651 Name:
Seritranolide A; (1S,5R,6S,7S,10S,11R)-1,5-dihydroxy-eudesman-4(15)-en-12,6Show More⌵
Mol. Formula:
C15H22O4
M.W.:
266.34
Type:
---
AlogP:
1.41
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5093523 Name:
6-chloro-2-(3-fluorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
Mol. Formula:
C17H13ClFN3O2
M.W.:
345.76
Type:
Unknown
AlogP:
4.32
Polar Surface Area:
70.26
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5076676 Name:
2-(6-amino-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yloxy)ethanoShow More⌵
Mol. Formula:
C20H21N3O5
M.W.:
383.40
Type:
Unknown
AlogP:
2.91
Polar Surface Area:
108.95
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4878351 Name:
(5R,5aS,8aR,9R)-5-[4-[(4-nitrophenoxy)methyl]triazol-1-yl]-9-(3,4,5-trimethShow More⌵
Mol. Formula:
C31H28N4O10
M.W.:
616.58
Type:
Unknown
AlogP:
4.04
Polar Surface Area:
155.53
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4877536 Name:
(5R,5aS,8aR,9R)-5-[4-[(4-ethylphenoxy)methyl]triazol-1-yl]-9-(3,4,5-trimethShow More⌵
Mol. Formula:
C33H33N3O8
M.W.:
599.64
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
112.39
HBA:
11
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4876946 Name:
NA
Mol. Formula:
C35H37N3O8
M.W.:
627.69
Type:
Unknown
AlogP:
5.43
Polar Surface Area:
112.39
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4874281 Name:
NA
Mol. Formula:
C34H29N3O10
M.W.:
639.62
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
142.60
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4874121 Name:
NA
Mol. Formula:
C39H35N3O10S
M.W.:
737.79
Type:
Unknown
AlogP:
6.10
Polar Surface Area:
138.69
HBA:
14
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4873704 Name:
(5R,5aS,8aR,9R)-5-[4-[[4-(1,1-dimethylpropyl)phenoxy]methyl]triazol-1-yl]-9Show More⌵
Mol. Formula:
C36H39N3O8
M.W.:
641.72
Type:
Unknown
AlogP:
5.82
Polar Surface Area:
112.39
HBA:
11
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
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