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NCID-ZINC05064302

 MMsINC code: MMs02435696
Type: Neutral
Formula: C10H12O
SMILES:   OCc1c2CCCc2ccc1
InChI:   InChI=1/C10H12O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h1,3,5,11H,2,4,6-7H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.6952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.205 g/mol  logS: -2.51692  SlogP: 1.93394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645538  Sterimol/B1: 2.49672  Sterimol/B2: 2.66389  Sterimol/B3: 2.79704
  Sterimol/B4: 6.10055  Sterimol/L: 10.0672 
 
 Surface and Volume Properties
  Accessible surface: 348.537  Positive charged surface: 241.365  Negative charged surface: 107.171  Volume: 157.875
  Hydrophobic surface: 292.661  Hydrophilic surface: 55.876
 
 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.