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OAKWOOD-ZINC04255711

 MMsINC code: MMs02550341
Type: Neutral
Formula: C15H16O
SMILES:   OC(c1ccc(cc1)CC)c1ccccc1
InChI:   InChI=1/C15H16O/c1-2-12-8-10-14(11-9-12)15(16)13-6-4-3-5-7-13/h3-11,15-16H,2H2,1H3/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.7103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.292 g/mol  logS: -3.91294  SlogP: 3.42617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189173  Sterimol/B1: 2.28386  Sterimol/B2: 3.47189  Sterimol/B3: 4.60727
  Sterimol/B4: 6.04022  Sterimol/L: 12.8003 
 
 Surface and Volume Properties
  Accessible surface: 449.229  Positive charged surface: 258.317  Negative charged surface: 190.912  Volume: 228.375
  Hydrophobic surface: 388.069  Hydrophilic surface: 61.16
 
 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.