ALA1086558Name:
Tetrahydrocannabinol acidCas Number:
23978-84-9Mol. Formula:
C22H30O4M.W.:
358.48Type:
Small moleculeAlogP:
5.43Polar Surface Area:
66.76HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
Small moleculeAlogP:
5.12Polar Surface Area:
72.24HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
32.26HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS
Type:
Small moleculeAlogP:
1.41Polar Surface Area:
0.00HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.34DETAILS
Type:
Small moleculeAlogP:
7.86Polar Surface Area:
99.36HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.08DETAILS-
Type:
Small moleculeAlogP:
6.06Polar Surface Area:
93.29HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
4.94Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3355306
Name:
3,7-dimethyloct-6-enyl 2-(4-chlorophenyl)acetateMol. Formula:
C18H25ClO2M.W.:
308.85Type:
Small moleculeAlogP:
5.20Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
4.85Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.92Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
6.23Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
5.77Polar Surface Area:
38.33HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
4.31Polar Surface Area:
41.13HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
5.15Polar Surface Area:
41.13HBA:
1HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
4.43Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
4.69Polar Surface Area:
29.10HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA3355297
Name:
(Z)-3,7-dimethylocta-2,6-dienyl 3-phenylpropanoateMol. Formula:
C19H26O2M.W.:
286.42Type:
Small moleculeAlogP:
4.86Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
5.62Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
5.07Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
Small moleculeAlogP:
4.47Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILS
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