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PUBCHEM-ZINC02752591

 MMsINC code: MMs02916987
Type: Neutral
Formula: C19H20Cl2N2O4
SMILES:   Clc1cc(C(=O)NC(CNC(=O)c2cc(Cl)ccc2OC)C)c(OC)cc1
InChI:   InChI=1/C19H20Cl2N2O4/c1-11(23-19(25)15-9-13(21)5-7-17(15)27-3)10-22-18(24)14-8-12(20)4-6-16(14)26-2/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25)/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.9069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.285 g/mol  logS: -5.36803  SlogP: 3.5589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0939359  Sterimol/B1: 2.31118  Sterimol/B2: 4.19748  Sterimol/B3: 5.71035
  Sterimol/B4: 9.72899  Sterimol/L: 17.1048 
 
 Surface and Volume Properties
  Accessible surface: 681.932  Positive charged surface: 395.82  Negative charged surface: 286.112  Volume: 363.75
  Hydrophobic surface: 592.221  Hydrophilic surface: 89.711
 
 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.