ALA5279500Name:
N1-(7-(trifluoromethyl)quinolin-4-yl)dodecane-1,12-diamineMol. Formula:
C22H32F3N3M.W.:
395.51Type:
---AlogP:
6.53Polar Surface Area:
50.94HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
---AlogP:
4.35Polar Surface Area:
108.82HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.27DETAILS
Type:
Small moleculeAlogP:
-2.96Polar Surface Area:
186.01HBA:
8HBD:
7#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS
ALA2401950Name:
N-acetyl-N-(4-(4-morpholinophenyl)thiazol-2-yl)acetamideMol. Formula:
C17H19N3O3SM.W.:
345.42Type:
Small moleculeAlogP:
2.55Polar Surface Area:
62.74HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA2401949Name:
N-(4-methylbenzylidene)-4-(4-morpholinophenyl)thiazol-2-amineMol. Formula:
C21H21N3OSM.W.:
363.49Type:
Small moleculeAlogP:
4.71Polar Surface Area:
37.72HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS-
Type:
Small moleculeAlogP:
4.99Polar Surface Area:
84.88HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
3.84Polar Surface Area:
84.88HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
101.19HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
5.35Polar Surface Area:
80.96HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA2401943
Name:
2-(2-(1-(4-Morpholinophenyl)ethylidene)hydrazinyl)thiazol-4(5H)-imineMol. Formula:
C15H19N5OSM.W.:
317.42Type:
Small moleculeAlogP:
1.92Polar Surface Area:
73.07HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA2401941
Name:
4-(4-(1-(2-(4-Methylthiazol-2-yl)hydrazono)ethyl)phenyl)morpholineMol. Formula:
C16H20N4OSM.W.:
316.43Type:
Small moleculeAlogP:
3.12Polar Surface Area:
49.75HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
1.85Polar Surface Area:
66.29HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
3.18Polar Surface Area:
30.21HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
92.58HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
8.71Polar Surface Area:
192.44HBA:
8HBD:
6#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.04DETAILS -
Type:
Small moleculeAlogP:
8.66Polar Surface Area:
133.52HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
169.16HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
9.16Polar Surface Area:
146.84HBA:
6HBD:
6#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.05DETAILS - ALA412419
Name:
25,27-bis(2-guanidinoethoxy)-26,28-dihydroxy calix[4]areneMol. Formula:
C34H36N6O5M.W.:
608.70Type:
Small moleculeAlogP:
3.02Polar Surface Area:
199.79HBA:
7HBD:
8#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.08DETAILS
The page will load shortly, Thanks for your patience!
Select all
