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NCID-ZINC01691010

 MMsINC code: MMs02323172
Type: Neutral
Formula: C10H14O
SMILES:   Oc1ccc(cc1C(C)C)C
InChI:   InChI=1/C10H14O/c1-7(2)9-6-8(3)4-5-10(9)11/h4-7,11H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.7527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.68776  SlogP: 2.82402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171647  Sterimol/B1: 2.31174  Sterimol/B2: 3.4836  Sterimol/B3: 3.75492
  Sterimol/B4: 5.9727  Sterimol/L: 10.0547 
 
 Surface and Volume Properties
  Accessible surface: 365.481  Positive charged surface: 236.315  Negative charged surface: 129.166  Volume: 168.5
  Hydrophobic surface: 281.48  Hydrophilic surface: 84.001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.