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AURORAFEINCHEMIE-ZINC01695504

 MMsINC code: MMs00448806
Type: Neutral
Formula: C15H16O
SMILES:   OC(CCc1ccccc1)c1ccccc1
InChI:   InChI=1/C15H16O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.4421 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.292 g/mol  logS: -3.18704  SlogP: 3.44827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109346  Sterimol/B1: 2.1534  Sterimol/B2: 3.59489  Sterimol/B3: 3.86657
  Sterimol/B4: 4.70546  Sterimol/L: 14.203 
 
 Surface and Volume Properties
  Accessible surface: 460.69  Positive charged surface: 260.435  Negative charged surface: 200.255  Volume: 231.375
  Hydrophobic surface: 425.393  Hydrophilic surface: 35.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.