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CHEMBRIDGE-ZINC02840694

MMsINC code: MMs00724343

Type: Neutral
Formula: C18H18Cl2N2O3
SMILES:   Clc1c(cccc1Cl)C(=O)Nc1cc(OC)c(NC(=O)C(C)C)cc1
InChI:   InChI=1/C18H18Cl2N2O3/c1-10(2)17(23)22-14-8-7-11(9-15(14)25-3)21-18(24)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H,21,24)(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=110.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.259 g/mol  logS: -5.48682  SlogP: 4.8488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234233  Sterimol/B1: 2.54349  Sterimol/B2: 2.87418  Sterimol/B3: 3.94165
  Sterimol/B4: 8.13003  Sterimol/L: 18.4763 
 
 Surface and Volume Properties
  Accessible surface: 630.357  Positive charged surface: 358.481  Negative charged surface: 271.875  Volume: 336.75
  Hydrophobic surface: 526.183  Hydrophilic surface: 104.174
 
 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.