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PUBCHEM-ZINC05925469

MMsINC code: MMs03446194

Type: Neutral
Formula: C18H30O
SMILES:   Oc1c(cc(cc1C(CC)C)C(CC)C)C(CC)C
InChI:   InChI=1/C18H30O/c1-7-12(4)15-10-16(13(5)8-2)18(19)17(11-15)14(6)9-3/h10-14,19H,7-9H2,1-6H3/t12-,13-,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=57.8005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.437 g/mol  logS: -6.45477  SlogP: 5.9327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173022  Sterimol/B1: 2.01104  Sterimol/B2: 3.14001  Sterimol/B3: 4.7733
  Sterimol/B4: 10.2856  Sterimol/L: 13.3415 
 
 Surface and Volume Properties
  Accessible surface: 558.372  Positive charged surface: 399.738  Negative charged surface: 158.635  Volume: 306.125
  Hydrophobic surface: 400.041  Hydrophilic surface: 158.331
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.