Type: Neutral
Formula: C20H32O2
SMILES: |
OC1CC2CCC3C(C2(CC1)C)C(CC1(C3CCC1=O)C)C |
InChI: |
InChI=1/C20H32O2/c1-12-11-20(3)16(6-7-17(20)22)15-5-4-13-10-14(21)8-9-19(13,2)18(12)15/h12-16,18,21H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,18-,19-,20+/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 304.474 g/mol | logS: -5.06183 | SlogP: 4.2051 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.394385 | Sterimol/B1: 2.25274 | Sterimol/B2: 4.336 | Sterimol/B3: 4.39348 |
Sterimol/B4: 6.9903 | Sterimol/L: 12.2557 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 485.922 | Positive charged surface: 343.241 | Negative charged surface: 142.682 | Volume: 314.625 |
Hydrophobic surface: 354.7 | Hydrophilic surface: 131.222 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 8 | | | |
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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. | | | |