- ALA5277676
Name:
Show More⌵Mol. Formula:
C17H16N4O4M.W.:
340.34/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.15Polar Surface Area:
99.15HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3275885
Name:
2,6-bis(4-(benzyloxy)-3,5-dimethoxybenzylidene)-4-methylcyclohexanoneMol. Formula:
C39H40O7M.W.:
620.74Type:
Small moleculeAlogP:
8.35Polar Surface Area:
72.45HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA3275884
Name:
2,6-bis(4-hydroxy-3,5-dimethoxybenzylidene)-4-methylcyclohexanoneMol. Formula:
C25H28O7M.W.:
440.49Type:
Small moleculeAlogP:
4.60Polar Surface Area:
94.45HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3275883
Name:
2,6-bis(4-(benzyloxy)-3-methoxybenzylidene)-4-methylcyclohexanoneMol. Formula:
C37H36O5M.W.:
560.69Type:
Small moleculeAlogP:
8.33Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA3275882
Name:
2,6-bis(4-(benzyloxy)-3,5-dimethoxybenzylidene)-3-methylcyclohexanoneMol. Formula:
C39H40O7M.W.:
620.74Type:
Small moleculeAlogP:
8.35Polar Surface Area:
72.45HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA3275881
Name:
2,6-bis(4-hydroxy-3,5-dimethoxybenzylidene)-3-methylcyclohexanoneMol. Formula:
C25H28O7M.W.:
440.49Type:
Small moleculeAlogP:
4.60Polar Surface Area:
94.45HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3275880
Name:
2,6-bis(4-(benzyloxy)-3-methoxybenzylidene)-3-methylcyclohexanoneMol. Formula:
C37H36O5M.W.:
560.69Type:
Small moleculeAlogP:
8.33Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA3275879
Name:
2,6-bis(4-hydroxy-3-methoxybenzylidene)-3-methylcyclohexanoneMol. Formula:
C23H24O5M.W.:
380.44Type:
Small moleculeAlogP:
4.58Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3275878
Name:
2,6-bis(4-(benzyloxy)-3,5-dimethoxybenzylidene)cyclohexanoneMol. Formula:
C38H38O7M.W.:
606.72Type:
Small moleculeAlogP:
8.10Polar Surface Area:
72.45HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA3275877
Name:
2,6-bis(4-(benzyloxy)-3-methoxybenzylidene)cyclohexanoneMol. Formula:
C36H34O5M.W.:
546.66Type:
Small moleculeAlogP:
8.08Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA3275876
Name:
2,5-bis(4-(benzyloxy)-3,5-dimethoxybenzylidene)cyclopentanoneMol. Formula:
C37H36O7M.W.:
592.69Type:
Small moleculeAlogP:
7.71Polar Surface Area:
72.45HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA3275875
Name:
2,5-bis(4-(benzyloxy)-3-methoxybenzylidene)cyclopentanoneMol. Formula:
C35H32O5M.W.:
532.64Type:
Small moleculeAlogP:
7.69Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA3275874
Name:
2-(3-(4-hydroxy-3-methoxyphenyl)allylidene)-1H-indene-1,3(2H)-dioneMol. Formula:
C19H14O4M.W.:
306.32Type:
Small moleculeAlogP:
3.42Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS Type:
Small moleculeAlogP:
3.71Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS- ALA3275872
Name:
2-(4-(benzyloxy)-3,5-dimethoxybenzylidene)-1H-indene-1,3(2H)-dioneMol. Formula:
C25H20O5M.W.:
400.43Type:
Small moleculeAlogP:
4.75Polar Surface Area:
61.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA3275871
Name:
2-(4-(benzyloxy)-3-methoxybenzylidene)-1H-indene-1,3(2H)-dioneMol. Formula:
C24H18O4M.W.:
370.40Type:
Small moleculeAlogP:
4.74Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3275870
Name:
2-(3,4-dimethoxybenzylidene)-1H-indene-1,3(2H)-dioneMol. Formula:
C18H14O4M.W.:
294.31Type:
Small moleculeAlogP:
3.17Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3275869
Name:
2-(4'-hydroxy-3',5'-dimethoxybenzylidene)-1H-indene-1,3(2H)-dioneMol. Formula:
C18H14O5M.W.:
310.31Type:
Small moleculeAlogP:
2.87Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS Type:
Small moleculeAlogP:
2.85Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.63DETAILS- ALA3275867
Name:
2-(4-(benzyloxy)-3,5-dimethoxybenzylidene)cyclopent-4-ene-1,3-dioneMol. Formula:
C21H18O5M.W.:
350.37Type:
Small moleculeAlogP:
3.37Polar Surface Area:
61.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS