Type: Neutral
Formula: C20H30O2
SMILES: |
OC1C=2C(CCC(C=2)(C=C)C)C2(C(C1)C(C)(C)C(=O)CC2)C |
InChI: |
InChI=1/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14-16,21H,1,7-11H2,2-5H3/t14-,15+,16-,19-,20+/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 302.458 g/mol | logS: -4.72873 | SlogP: 4.2913 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.168297 | Sterimol/B1: 2.50706 | Sterimol/B2: 4.45714 | Sterimol/B3: 4.85535 |
Sterimol/B4: 5.02975 | Sterimol/L: 14.3779 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 508.295 | Positive charged surface: 339.121 | Negative charged surface: 169.175 | Volume: 319.25 |
Hydrophobic surface: 331.766 | Hydrophilic surface: 176.529 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 5 | | | |
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Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | |
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Ions/Tautomers related molecules: no related molecules available. | | | |