Type:
---AlogP:
4.53Polar Surface Area:
86.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
5.18Polar Surface Area:
86.37HBA:
4HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA5290022Name:
(S)-2-((1R,2R,4R)-2-(benzyloxy)-4-methylcyclohexyl)-2-methyloxiraneMol. Formula:
C17H24O2M.W.:
260.38Type:
---AlogP:
3.80Polar Surface Area:
21.76HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA5265895Name:
(R)-2-((1R,2R,4R)-2-(benzyloxy)-4-methylcyclohexyl)-2-methyloxiraneMol. Formula:
C17H24O2M.W.:
260.38Type:
---AlogP:
3.80Polar Surface Area:
21.76HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
UnknownAlogP:
6.65Polar Surface Area:
84.24HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS- ALA4582902
Name:
Hierridin C; 3-Chloro-4,6-dimethoxy-2-(pentadecyl)phenolMol. Formula:
C23H39ClO3M.W.:
399.02Type:
UnknownAlogP:
7.70Polar Surface Area:
38.69HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.29DETAILS - ALA4577861
Name:
2-(3-cyano-6-(4-fluorophenyl)-4-p-tolylpyridin-2-ylthio)-N-m-tolylacetamideMol. Formula:
C28H22FN3OSM.W.:
467.57Type:
UnknownAlogP:
6.77Polar Surface Area:
65.78HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
UnknownAlogP:
1.69Polar Surface Area:
85.17HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4565330
Name:
15-hydroxy-6alpha,12-epoxy-7beta,10alphaH,11betaH-spiroax-4-ene-12-oneMol. Formula:
C15H22O3M.W.:
250.34Type:
UnknownAlogP:
2.29Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
6.65Polar Surface Area:
84.24HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
0.42Polar Surface Area:
125.85HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
6.64Polar Surface Area:
75.01HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4529118
Name:
4-(2',3'-dihydroxy-3'-methyl-butanoxy)-phenethanolMol. Formula:
C13H20O4M.W.:
240.30Type:
UnknownAlogP:
0.73Polar Surface Area:
69.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
2.25Polar Surface Area:
74.35HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
1.25Polar Surface Area:
92.71HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
1.10Polar Surface Area:
102.39HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
3.90Polar Surface Area:
67.59HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
1.92Polar Surface Area:
82.97HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
0.48Polar Surface Area:
92.59HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
UnknownAlogP:
0.94Polar Surface Area:
103.13HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS
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