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PUBCHEM-ZINC06034488

 MMsINC code: MMs03505453
Type: Neutral
Formula: C18H18Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)N\N=C\c1cc(ccc1)C
InChI:   InChI=1/C18H18Cl2N2O2/c1-13-4-2-5-14(10-13)12-21-22-18(23)6-3-9-24-17-8-7-15(19)11-16(17)20/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,22,23)/b21-12+

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Potential Energy
Epot(MMFF94)=83.0509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.26 g/mol  logS: -5.64116  SlogP: 4.61112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00429199  Sterimol/B1: 2.37951  Sterimol/B2: 2.51241  Sterimol/B3: 2.86319
  Sterimol/B4: 6.14391  Sterimol/L: 23.1503 
 
 Surface and Volume Properties
  Accessible surface: 661.247  Positive charged surface: 344.548  Negative charged surface: 316.699  Volume: 336.625
  Hydrophobic surface: 577.998  Hydrophilic surface: 83.249
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.