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ACROSORGANICS-ZINC03860806

 MMsINC code: MMs00015567
Type: Neutral
Formula: C20H16O2
SMILES:   OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.346 g/mol  logS: -4.70067  SlogP: 4.1056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.357649  Sterimol/B1: 2.38786  Sterimol/B2: 2.71286  Sterimol/B3: 5.90266
  Sterimol/B4: 9.60056  Sterimol/L: 11.5838 
 
 Surface and Volume Properties
  Accessible surface: 495.1  Positive charged surface: 277.769  Negative charged surface: 217.331  Volume: 285.875
  Hydrophobic surface: 430.826  Hydrophilic surface: 64.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00015568
ACROSORGANICS-ZINC03860806