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CHEMBRIDGE-ZINC03001032

 MMsINC code: MMs00749728
Type: Neutral
Formula: C25H19ClF2N2O3
SMILES:   Clc1cc(ccc1)C(=O)N(CCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(F)cc1F
InChI:   InChI=1/C25H19ClF2N2O3/c26-17-7-5-6-16(14-17)23(31)29(22-11-10-18(27)15-21(22)28)12-3-4-13-30-24(32)19-8-1-2-9-20(19)25(30)33/h1-2,5-11,14-15H,3-4,12-13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.887 g/mol  logS: -7.32086  SlogP: 5.3414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443936  Sterimol/B1: 3.38666  Sterimol/B2: 4.38  Sterimol/B3: 5.09574
  Sterimol/B4: 6.57525  Sterimol/L: 20.2262 
 
 Surface and Volume Properties
  Accessible surface: 714.595  Positive charged surface: 350.253  Negative charged surface: 364.342  Volume: 411.375
  Hydrophobic surface: 610.804  Hydrophilic surface: 103.791
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.