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NCID-ZINC01646488

 MMsINC code: MMs02287125
Type: Neutral
Formula: C15H16O2
SMILES:   OC(CC(O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C15H16O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10,14-17H,11H2/t14-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.0902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.291 g/mol  logS: -2.92303  SlogP: 3.0347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118488  Sterimol/B1: 2.10266  Sterimol/B2: 3.58637  Sterimol/B3: 3.73161
  Sterimol/B4: 4.97592  Sterimol/L: 14.2184 
 
 Surface and Volume Properties
  Accessible surface: 466.814  Positive charged surface: 255.352  Negative charged surface: 211.462  Volume: 237.625
  Hydrophobic surface: 396.008  Hydrophilic surface: 70.806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.