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PUBCHEM-ZINC05880744

 MMsINC code: MMs03426520
Type: Neutral
Formula: C17H16Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)N\N=C(/C)\c1ccccc1O)C
InChI:   InChI=1/C17H16Cl2N2O3/c1-10(13-5-3-4-6-15(13)22)20-21-17(23)11(2)24-16-8-7-12(18)9-14(16)19/h3-9,11,22H,1-2H3,(H,21,23)/b20-10+/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=123.627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.232 g/mol  logS: -5.35497  SlogP: 4.0067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293641  Sterimol/B1: 2.38955  Sterimol/B2: 2.99156  Sterimol/B3: 5.11291
  Sterimol/B4: 6.36573  Sterimol/L: 19.5726 
 
 Surface and Volume Properties
  Accessible surface: 610.823  Positive charged surface: 288.579  Negative charged surface: 322.244  Volume: 321.375
  Hydrophobic surface: 504.794  Hydrophilic surface: 106.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.