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FK-788 Name:
{(R)-6-[(Diphenylcarbamoyloxy)-methyl]-6-hydroxy-5,6,7,8-tetrahydro-naphthaShow More⌵
Mol. Formula:
C26H25NO6
M.W.:
447.49
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
96.30
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA195456 Name:
{(S)-6-[(Diphenylcarbamoyloxy)-methyl]-5,6-dihydroxy-5,6,7,8-tetrahydro-napShow More⌵
Mol. Formula:
C26H25NO7
M.W.:
463.49
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
116.53
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA196935 Name:
{6-[(Diphenylcarbamoyloxy)-methyl]-7,8-dihydro-naphthalen-1-yloxy}-acetic aShow More⌵
Mol. Formula:
C26H23NO5
M.W.:
429.47
Type:
Small molecule
AlogP:
5.45
Polar Surface Area:
76.07
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA196194 Name:
{(R)-6-[(Diphenylcarbamoyloxy)-methyl]-5-hydroxy-5,6,7,8-tetrahydro-naphthaShow More⌵
Mol. Formula:
C26H25NO6
M.W.:
447.49
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
96.30
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA425916 Name:
{(S)-6-[(Diphenylcarbamoyloxy)-methyl]-5,6-dihydroxy-5,6,7,8-tetrahydro-napShow More⌵
Mol. Formula:
C26H25NO7
M.W.:
463.49
Type:
Small molecule
AlogP:
3.84
Polar Surface Area:
116.53
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA426829 Name:
{(S)-6-[(Diphenylcarbamoyloxy)-methyl]-6-hydroxy-5,6,7,8-tetrahydro-naphthaShow More⌵
Mol. Formula:
C26H25NO6
M.W.:
447.49
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
96.30
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA197319 Name:
{6-[(Diphenylcarbamoyloxy)-methyl]-5,6,7,8-tetrahydro-naphthalen-1-yloxy}-aShow More⌵
Mol. Formula:
C26H25NO5
M.W.:
431.49
Type:
Small molecule
AlogP:
5.23
Polar Surface Area:
76.07
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA371399 Name:
{(R)-6-[(Diphenylcarbamoyloxy)-methyl]-5-hydroxy-5,6,7,8-tetrahydro-naphthaShow More⌵
Mol. Formula:
C26H25NO6
M.W.:
447.49
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
96.30
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA193700 Name:
(6aR,12aR)-2,3-Dimethoxy-6,12a-dimethyl-6a,12a-dihydro-6H-8,10-dioxa-6-aza-Show More⌵
Mol. Formula:
C21H19NO6
M.W.:
381.38
Type:
Small molecule
AlogP:
2.71
Polar Surface Area:
74.30
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA363230 Name:
4-[(2S,3S)-4-(3-Hydroxy-4-methoxy-phenyl)-2,3-dimethyl-butyl]-6-methoxy-benShow More⌵
Mol. Formula:
C20H26O5
M.W.:
346.42
Type:
Small molecule
AlogP:
3.88
Polar Surface Area:
79.15
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA185692 Name:
4-{(1S,2S)-1-Hydroxy-2-[2-methoxy-4-((E)-propenyl)-phenoxy]-propyl}-2-methoShow More⌵
Mol. Formula:
C20H24O5
M.W.:
344.41
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
68.15
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA433982 Name:
1,4-bis(benzimidazole-2-ylmethyl)-1,4,7-triazacyclonone
Mol. Formula:
C22H27N7
M.W.:
389.51
Type:
Small molecule
AlogP:
2.35
Polar Surface Area:
75.87
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA182364 Name:
1-(benzimidazole-2-ylmethyl)-1,4,7-triazacyclononane
Mol. Formula:
C14H21N5
M.W.:
259.36
Type:
Small molecule
AlogP:
0.56
Polar Surface Area:
55.98
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA183711 Name:
N,N0-butylene bis-(2-acetylpyridine iminato) copper(II)
Mol. Formula:
C18H22CuN4+4
M.W.:
357.95
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/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA183865 Name:
N,N0-propylene bis-(2-acetylpyridine iminato) copper(II)
Mol. Formula:
C17H20CuN4+4
M.W.:
343.92
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA183284 Name:
N,N0-ethylene bis-(2-acetylpyridine iminato) copper(II)
Mol. Formula:
C16H18CuN4+4
M.W.:
329.89
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA182742 Name:
Cu-clioquinol
Mol. Formula:
C18H10Cl2CuI2N2O2
M.W.:
674.55
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA179171 Name:
6,7-Dichloro-2-isopropyl-5-[3-(pyridin-4-ylsulfanylmethyl)-benzyloxy]-indanShow More⌵
Mol. Formula:
C25H23Cl2NO2S
M.W.:
472.44
Type:
Small molecule
AlogP:
7.27
Polar Surface Area:
39.19
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA79445 Name:
N-(9-Ethoxy-1,8-dihydroxy-12a-methyl-1,2,3,3a,3b,4,5,6,10b,11,12,12a-dodecaShow More⌵
Mol. Formula:
C23H33NO4
M.W.:
387.52
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
78.79
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA432546 Name:
9-Ethoxy-1,8-dihydroxy-12a-methyl-2,3,3a,3b,4,5,10b,11,12,12a-decahydro-1H-Show More⌵
Mol. Formula:
C21H28O4
M.W.:
344.45
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
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