Type:
Small moleculeAlogP:
-2.88Polar Surface Area:
251.38HBA:
14HBD:
9#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA3289513Name:
(6R)-(+)-3,6-Dihydroxy-2-(hexadec-10'Z-enoyl)cyclohex-2-en-1-oneMol. Formula:
C22H36O4M.W.:
364.53Type:
Small moleculeAlogP:
5.35Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.25DETAILS- ALA3289512
Name:
3-Hydroxy-2-(hexadec-10'Z-enoyl)cyclohex-2-en-1-oneMol. Formula:
C22H36O3M.W.:
348.53Type:
Small moleculeAlogP:
6.38Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
7.94Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
3.26Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3289509
Name:
3-Hydroxy-2-(3'-phenyl-6'-methylenedioxypropanoyl)cyclohex-2-en-1-oneMol. Formula:
C16H16O5M.W.:
288.30Type:
Small moleculeAlogP:
2.48Polar Surface Area:
72.83HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA3289508
Name:
3-Hydroxy-2-(11'-phenylundec-10'E-enoyl)cyclohex-2-en-1-oneMol. Formula:
C23H30O3M.W.:
354.49Type:
Small moleculeAlogP:
5.95Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA3289507
Name:
3-Hydroxy-2-(5'-phenylpent-4'E-enoyl)cyclohex-2-en-1-oneMol. Formula:
C17H18O3M.W.:
270.33Type:
Small moleculeAlogP:
3.61Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA447071
Name:
methyl 4-hydroxy-3-(3'-methyl-1'-oxo-2'-butenyl)benzoateMol. Formula:
C13H14O4M.W.:
234.25Type:
Small moleculeAlogP:
2.33Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
5.80Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA451571
Name:
[methyl 4-hydroxy-3-(2',3'-dihydroxy-3'-methylbutyl)benzoate]Mol. Formula:
C13H18O5M.W.:
254.28Type:
Small moleculeAlogP:
0.85Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
4.37Polar Surface Area:
122.52HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA490664
Name:
4-methoxy-3-(3',7'-dimethylocta-2'-E-6'-dienyl)benzoic acidMol. Formula:
C18H24O3M.W.:
288.39Type:
Small moleculeAlogP:
4.63Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
2.57Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.76DETAILS - ALA489133
Name:
methyl 8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylateMol. Formula:
C13H14O4M.W.:
234.25Type:
Small moleculeAlogP:
2.36Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.66Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.68DETAILS - ALA483216
Name:
[methyl 2,2-dimethyl-8-(3'-methyl-2'-butenyl)-2H-1-benzopyran-6-carboxylateMol. Formula:
C18H22O3M.W.:
286.37Type:
Small moleculeAlogP:
4.17Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS
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