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PUBCHEM-ZINC06364955

 MMsINC code: MMs03689018
Type: Neutral
Formula: C15H24O
SMILES:   Oc1ccc(cc1)C(CC(C(C)C)C)(C)C
InChI:   InChI=1/C15H24O/c1-11(2)12(3)10-15(4,5)13-6-8-14(16)9-7-13/h6-9,11-12,16H,10H2,1-5H3/t12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.8274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.356 g/mol  logS: -5.61861  SlogP: 4.352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135014  Sterimol/B1: 2.29783  Sterimol/B2: 2.81451  Sterimol/B3: 4.69142
  Sterimol/B4: 6.02377  Sterimol/L: 14.0728 
 
 Surface and Volume Properties
  Accessible surface: 457.897  Positive charged surface: 298.792  Negative charged surface: 159.105  Volume: 250.5
  Hydrophobic surface: 324.271  Hydrophilic surface: 133.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.