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ACROSORGANICS-ZINC03898853

MMsINC code: MMs00016370

Type: Neutral
Formula: C15H11FO
SMILES:   Fc1ccc(cc1)\C=C\C(=O)c1ccccc1
InChI:   InChI=1/C15H11FO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=63.307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.25 g/mol  logS: -4.25849  SlogP: 3.7218  Reactive groups: 1
 
 Topological Properties
  Globularity: 3.71648e-07  Sterimol/B1: 2.09725  Sterimol/B2: 2.1035  Sterimol/B3: 3.24646
  Sterimol/B4: 5.12909  Sterimol/L: 14.9087 
 
 Surface and Volume Properties
  Accessible surface: 457.439  Positive charged surface: 203.537  Negative charged surface: 253.902  Volume: 223.625
  Hydrophobic surface: 421.539  Hydrophilic surface: 35.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.