ALA4105025Name:
N-[(Adamant-1-yl)methyl]-4-(benzyloxy)aniline HydrochlorideMol. Formula:
C24H30ClNOM.W.:
383.96Type:
Small moleculeAlogP:
5.89Polar Surface Area:
21.26HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS
Type:
Small moleculeAlogP:
2.12Polar Surface Area:
75.86HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS
ALA3353009Name:
[(1R*,3R*,4R*)-3-(6-Thio-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanolMol. Formula:
C13H16N4OSM.W.:
276.36Type:
Small moleculeAlogP:
2.21Polar Surface Area:
66.73HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
1.62Polar Surface Area:
67.07HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA1077033
Name:
1,7-Bis-[(4,4-di-O-decanoyl)3-methoxy phenyl]-1,6-heptadiene-3,5-dioneMol. Formula:
C41H56O8M.W.:
676.89Type:
Small moleculeAlogP:
10.05Polar Surface Area:
105.20HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.03DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
5.70Polar Surface Area:
54.26HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
5.62Polar Surface Area:
41.90HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
5.35Polar Surface Area:
54.26HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
8.71Polar Surface Area:
37.72HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
8.40Polar Surface Area:
37.72HBA:
5HBD:
---#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA549801
Name:
5-(4-(Benzyloxy)phenyl)-3-phenyl-1-thiocarbamoyl-4,5-dihydro-1H-pyrazoleMol. Formula:
C23H21N3OSM.W.:
387.51Type:
Small moleculeAlogP:
4.66Polar Surface Area:
50.85HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
5.73Polar Surface Area:
41.90HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
5.05Polar Surface Area:
54.26HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
5.42Polar Surface Area:
50.85HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
0.82Polar Surface Area:
161.68HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
0.99Polar Surface Area:
161.68HBA:
9HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
112.76HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS
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