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APOLLO-ZINC00163515

 MMsINC code: MMs00047202
Type: Neutral
Formula: C11H10O2
SMILES:   O(C)c1cc2c(cc1)cccc2O
InChI:   InChI=1/C11H10O2/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h2-7,12H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.4911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.199 g/mol  logS: -2.95119  SlogP: 2.554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.012963  Sterimol/B1: 2.34179  Sterimol/B2: 2.40587  Sterimol/B3: 4.02212
  Sterimol/B4: 4.49848  Sterimol/L: 11.9677 
 
 Surface and Volume Properties
  Accessible surface: 369.572  Positive charged surface: 230.576  Negative charged surface: 127.925  Volume: 172
  Hydrophobic surface: 313.445  Hydrophilic surface: 56.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.