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NCID-ZINC05766920

 MMsINC code: MMs02497045
Type: Neutral
Formula: C18H24O2
SMILES:   O(C(=O)c1ccc(cc1)C)C1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C18H24O2/c1-12-5-7-13(8-6-12)15(19)20-16-17(2,3)14-9-10-18(16,4)11-14/h5-8,14,16H,9-11H2,1-4H3/t14-,16-,18+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.388 g/mol  logS: -4.41671  SlogP: 4.36662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142654  Sterimol/B1: 3.47955  Sterimol/B2: 3.79733  Sterimol/B3: 4.7441
  Sterimol/B4: 5.02573  Sterimol/L: 14.4327 
 
 Surface and Volume Properties
  Accessible surface: 519.579  Positive charged surface: 332.915  Negative charged surface: 186.664  Volume: 289
  Hydrophobic surface: 450.811  Hydrophilic surface: 68.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.