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ACROSORGANICS-ZINC00000076

MMsINC code: MMs00002545

Type: Neutral
Formula: C14H12O2
SMILES:   OC(C(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=69.1019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.248 g/mol  logS: -3.25515  SlogP: 2.6984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165823  Sterimol/B1: 2.39412  Sterimol/B2: 3.07912  Sterimol/B3: 4.45724
  Sterimol/B4: 5.84019  Sterimol/L: 11.6445 
 
 Surface and Volume Properties
  Accessible surface: 416.078  Positive charged surface: 213.065  Negative charged surface: 203.012  Volume: 214.375
  Hydrophobic surface: 344.896  Hydrophilic surface: 71.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.