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ACROSORGANICS-ZINC01760835

 MMsINC code: MMs00011906
Type: Neutral
Formula: C15H14O
SMILES:   OC1c2c(CCc3c1cccc3)cccc2
InChI:   InChI=1/C15H14O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.9133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.276 g/mol  logS: -3.7696  SlogP: 2.96234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373944  Sterimol/B1: 2.87985  Sterimol/B2: 3.02227  Sterimol/B3: 4.09024
  Sterimol/B4: 4.30646  Sterimol/L: 12.85 
 
 Surface and Volume Properties
  Accessible surface: 412.911  Positive charged surface: 236.549  Negative charged surface: 176.362  Volume: 216.625
  Hydrophobic surface: 379.318  Hydrophilic surface: 33.593
 
 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.