- ALA5198783
Name:
Show More⌵Mol. Formula:
C22H19N3O7SM.W.:
469.48/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---AlogP:
2.96Polar Surface Area:
134.20HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA5192352
Name:
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-nitrothiazol-2-yl)acetamideMol. Formula:
C12H9N5O3S2M.W.:
335.37Type:
---AlogP:
2.66Polar Surface Area:
113.81HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA5172018
Name:
(Z)-acetonyl-[5-(4-methoxyphenyl)dithiol-3-ylidene]sulfonium iodideMol. Formula:
C13H13IO2S3M.W.:
424.35Type:
---AlogP:
3.69Polar Surface Area:
26.30HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5170853
Name:
(1E,3E,6E,8E)-1,9-bis(2-furyl)nona-1,3,6,8-tetraen-5-oneMol. Formula:
C17H14O3M.W.:
266.30Type:
---AlogP:
4.28Polar Surface Area:
43.35HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA5169735
Name:
7,8-dichloro-5,10-dioxido-5,10-dihydrophenazine-5,10-diium-2-olMol. Formula:
C12H8Cl2N2O3M.W.:
299.11Type:
---AlogP:
1.70Polar Surface Area:
75.23HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS Type:
UnknownAlogP:
3.10Polar Surface Area:
140.11HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILSType:
UnknownAlogP:
6.26Polar Surface Area:
123.04HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.15DETAILSType:
UnknownAlogP:
4.39Polar Surface Area:
84.08HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILSType:
UnknownAlogP:
2.52Polar Surface Area:
109.86HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILSType:
UnknownAlogP:
3.73Polar Surface Area:
84.08HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILSType:
UnknownAlogP:
2.45Polar Surface Area:
140.11HBA:
9HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILSType:
UnknownAlogP:
3.19Polar Surface Area:
96.97HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILSType:
Small moleculeAlogP:
5.38Polar Surface Area:
106.17HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.28DETAILS- ALA3329475
Name:
2'-(4-aminophenyl)-6,6'-bibenzo[d]thiazol-2-amineMol. Formula:
C20H14N4S2M.W.:
374.49Type:
Small moleculeAlogP:
5.40Polar Surface Area:
77.82HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS Type:
Small moleculeAlogP:
3.52Polar Surface Area:
32.78HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS- ALA1632558
Name:
(N,N',N,N')-N,N'-(butane-2,3-diylidene)bis(4-methylaniline)Mol. Formula:
C18H20N2M.W.:
264.37Type:
Small moleculeAlogP:
5.19Polar Surface Area:
24.72HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA1632557
Name:
N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-chloroethanamineMol. Formula:
C10H12ClNO2M.W.:
213.66Type:
Small moleculeAlogP:
1.74Polar Surface Area:
30.49HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS Type:
Small moleculeAlogP:
1.26Polar Surface Area:
67.97HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILSType:
Small moleculeAlogP:
1.32Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.67DETAILSType:
Small moleculeAlogP:
2.69Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS