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NCID-ZINC00282090

 MMsINC code: MMs02213907
Type: Neutral
Formula: C16H16O2
SMILES:   OC(=O)C(c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C16H16O2/c1-11-3-7-13(8-4-11)15(16(17)18)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.5555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.302 g/mol  logS: -4.00605  SlogP: 3.51994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168509  Sterimol/B1: 2.71076  Sterimol/B2: 3.356  Sterimol/B3: 3.96949
  Sterimol/B4: 7.0878  Sterimol/L: 13.9944 
 
 Surface and Volume Properties
  Accessible surface: 478.32  Positive charged surface: 280.546  Negative charged surface: 197.774  Volume: 248.125
  Hydrophobic surface: 395.407  Hydrophilic surface: 82.913
 
 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


MMs02213908
NCID-ZINC00282090