- ALA5291113
Name:
AMG-487-(+/-)Mol. Formula:
C32H28F3N5O4M.W.:
603.60/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
5.81Polar Surface Area:
99.44HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA5308501
Name:
BETAMETHASONE VALERATEMol. Formula:
C27H37FO6M.W.:
476.59/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.64Polar Surface Area:
100.90HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA5308500
Name:
Capreomycin (sulfate)Mol. Formula:
C25H44N14O7M.W.:
652.72/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-7.00Polar Surface Area:
355.69HBA:
11HBD:
14#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA5308499
Name:
Oridonin (Isodonol)Mol. Formula:
C20H28O6M.W.:
364.44/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.38Polar Surface Area:
107.22HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA5308498
Name:
NAFCILLIN SODIUMMol. Formula:
C21H22N2O5SM.W.:
414.48/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.48Polar Surface Area:
95.94HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA5308497
Name:
Oleanolic_acid (Caryophyllin)Mol. Formula:
C30H48O3M.W.:
456.71/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
7.09Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA5308496
Name:
ifenprodilMol. Formula:
C42H54N2O4M.W.:
650.90/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5308495
Name:
AmrubicinMol. Formula:
C25H25NO9M.W.:
483.47/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.63Polar Surface Area:
176.61HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA5308494
Name:
ALOGLIPTIN BENZOATEMol. Formula:
C18H21N5O2M.W.:
339.40/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
0.39Polar Surface Area:
97.05HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA5308493
Name:
MONENSIN SODIUMMol. Formula:
C36H62O11M.W.:
670.88/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.27Polar Surface Area:
153.37HBA:
10HBD:
4#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA5308492
Name:
SPARFLOXACINMol. Formula:
C19H22F2N4O3M.W.:
392.41/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.08Polar Surface Area:
100.59HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA5308491
Name:
Mezlocillin SodiumMol. Formula:
C21H25N5O8S2M.W.:
539.59/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
-0.23Polar Surface Area:
173.50HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA5308490
Name:
Bismuth Subcitrate PotassiumMol. Formula:
C12H8BiO14-5M.W.:
585.16/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5308489
Name:
Rifamycin SV sodium saltMol. Formula:
C37H47NO12M.W.:
697.78/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.75Polar Surface Area:
201.31HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA5308488
Name:
PETCMMol. Formula:
C8H8Cl3NOM.W.:
240.52/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.36Polar Surface Area:
33.12HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.81DETAILS - ALA5308487
Name:
DMeOBMol. Formula:
C16H16N2O2M.W.:
268.32/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
3.48Polar Surface Area:
43.18HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA5308486
Name:
Moexipril HydrochlorideMol. Formula:
C27H34N2O7M.W.:
498.58/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.58Polar Surface Area:
114.40HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5308485
Name:
Silymarin (Silybin B)Mol. Formula:
C25H22O10M.W.:
482.44/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.36Polar Surface Area:
155.14HBA:
10HBD:
5#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA5308484
Name:
3;3'-dichlorobenzaldazineMol. Formula:
C14H10Cl2N2M.W.:
277.15/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
4.77Polar Surface Area:
24.72HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA5308483
Name:
ARSENIC TRIOXIDE DIETHANOLAMINE SALTMol. Formula:
H4As2O3M.W.:
201.87/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS