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NCID-ZINC01632689

 MMsINC code: MMs02277151
Type: Neutral
Formula: C15H16O2
SMILES:   OC(Cc1ccccc1CO)c1ccccc1
InChI:   InChI=1/C15H16O2/c16-11-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12/h1-9,15-17H,10-11H2/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.5688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.291 g/mol  logS: -2.75629  SlogP: 2.81687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398894  Sterimol/B1: 2.57864  Sterimol/B2: 3.36653  Sterimol/B3: 4.50578
  Sterimol/B4: 4.97947  Sterimol/L: 14.1862 
 
 Surface and Volume Properties
  Accessible surface: 455.494  Positive charged surface: 259.392  Negative charged surface: 196.102  Volume: 235.75
  Hydrophobic surface: 367.341  Hydrophilic surface: 88.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.