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PUBCHEM-ZINC05765164

 MMsINC code: MMs03378713
Type: Neutral
Formula: C10H12O
SMILES:   Oc1cc(c2CCCc2c1)C
InChI:   InChI=1/C10H12O/c1-7-5-9(11)6-8-3-2-4-10(7)8/h5-6,11H,2-4H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.7741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.205 g/mol  logS: -2.85787  SlogP: 2.18926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078687  Sterimol/B1: 1.969  Sterimol/B2: 2.65094  Sterimol/B3: 2.90208
  Sterimol/B4: 6.80335  Sterimol/L: 9.90245 
 
 Surface and Volume Properties
  Accessible surface: 346.315  Positive charged surface: 234.282  Negative charged surface: 112.032  Volume: 159.375
  Hydrophobic surface: 295.113  Hydrophilic surface: 51.202
 
 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.