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PUBCHEM-ZINC00701911

 MMsINC code: MMs02730839
Type: Neutral
Formula: C19H13Cl3N2O4
SMILES:   Clc1ccccc1-c1oc(cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Cl
InChI:   InChI=1/C19H13Cl3N2O4/c20-11-5-6-16(14(22)9-11)27-10-18(25)23-24-19(26)17-8-7-15(28-17)12-3-1-2-4-13(12)21/h1-9H,10H2,(H,23,25)(H,24,26)

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Potential Energy
Epot(MMFF94)=103.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.682 g/mol  logS: -8.00984  SlogP: 4.7468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132379  Sterimol/B1: 2.18909  Sterimol/B2: 4.2579  Sterimol/B3: 5.00983
  Sterimol/B4: 6.56724  Sterimol/L: 21.8472 
 
 Surface and Volume Properties
  Accessible surface: 692.443  Positive charged surface: 288.705  Negative charged surface: 403.738  Volume: 358.375
  Hydrophobic surface: 572.523  Hydrophilic surface: 119.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.