Type: Neutral
Formula: C18H24O2
SMILES: |
OC1CCC2C3C(CCC12C)c1c(cc(O)cc1)CC3 |
InChI: |
InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 272.388 g/mol | logS: -4.21839 | SlogP: 3.60917 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.092798 | Sterimol/B1: 1.969 | Sterimol/B2: 3.59364 | Sterimol/B3: 4.78072 |
Sterimol/B4: 5.07948 | Sterimol/L: 14.675 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 480.165 | Positive charged surface: 347.138 | Negative charged surface: 133.028 | Volume: 276.625 |
Hydrophobic surface: 371.708 | Hydrophilic surface: 108.457 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 2 | 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. | | | |