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OTAVA-ZINC01781917

 MMsINC code: MMs02562426
Type: Neutral
Formula: C24H18Cl2FNO4
SMILES:   Clc1cccc(Cl)c1COc1ccc(cc1)\C=C\C(OCC(=O)Nc1ccc(F)cc1)=O
InChI:   InChI=1/C24H18Cl2FNO4/c25-21-2-1-3-22(26)20(21)14-31-19-11-4-16(5-12-19)6-13-24(30)32-15-23(29)28-18-9-7-17(27)8-10-18/h1-13H,14-15H2,(H,28,29)/b13-6+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.315 g/mol  logS: -7.8507  SlogP: 6.173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0181928  Sterimol/B1: 3.52869  Sterimol/B2: 4.69502  Sterimol/B3: 4.79463
  Sterimol/B4: 6.9765  Sterimol/L: 24.7068 
 
 Surface and Volume Properties
  Accessible surface: 764.633  Positive charged surface: 347.743  Negative charged surface: 416.89  Volume: 411.125
  Hydrophobic surface: 666.538  Hydrophilic surface: 98.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.