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ENAMINE-ZINC03322565

MMsINC code: MMs01371035

Type: Neutral
Formula: C23H18O4
SMILES:   O(C)c1cc(ccc1)C(OCC(=O)c1cc-2c(Cc3c-2cccc3)cc1)=O
InChI:   InChI=1/C23H18O4/c1-26-19-7-4-6-18(12-19)23(25)27-14-22(24)17-10-9-16-11-15-5-2-3-8-20(15)21(16)13-17/h2-10,12-13H,11,14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=109.794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.393 g/mol  logS: -6.8135  SlogP: 4.30607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00317814  Sterimol/B1: 2.37777  Sterimol/B2: 2.38034  Sterimol/B3: 4.73853
  Sterimol/B4: 5.04081  Sterimol/L: 22.215 
 
 Surface and Volume Properties
  Accessible surface: 646.42  Positive charged surface: 384.001  Negative charged surface: 251.32  Volume: 345.875
  Hydrophobic surface: 561.003  Hydrophilic surface: 85.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.