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CHEMDIV-ZINC03179275

 MMsINC code: MMs00910187
Type: Neutral
Formula: C15H14O2
SMILES:   OC(=O)c1ccccc1Cc1ccc(cc1)C
InChI:   InChI=1/C15H14O2/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15(16)17/h2-9H,10H2,1H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.3313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.275 g/mol  logS: -3.94458  SlogP: 3.28399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0859358  Sterimol/B1: 3.57514  Sterimol/B2: 3.68663  Sterimol/B3: 4.46228
  Sterimol/B4: 4.56923  Sterimol/L: 13.685 
 
 Surface and Volume Properties
  Accessible surface: 450.794  Positive charged surface: 267.246  Negative charged surface: 183.548  Volume: 229.75
  Hydrophobic surface: 365.716  Hydrophilic surface: 85.078
 
 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


MMs00910188
CHEMDIV-ZINC03179275