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NCID-ZINC01685151

 MMsINC code: MMs02318387
Type: Neutral
Formula: C10H14O
SMILES:   OC(C)(C)c1ccccc1C
InChI:   InChI=1/C10H14O/c1-8-6-4-5-7-9(8)10(2,3)11/h4-7,11H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.5389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.28424  SlogP: 2.53392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149323  Sterimol/B1: 2.17298  Sterimol/B2: 3.18059  Sterimol/B3: 3.43468
  Sterimol/B4: 6.30826  Sterimol/L: 9.9965 
 
 Surface and Volume Properties
  Accessible surface: 340.286  Positive charged surface: 203.307  Negative charged surface: 136.979  Volume: 163.625
  Hydrophobic surface: 274.693  Hydrophilic surface: 65.593
 
 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.