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PUBCHEM-ZINC05921362

 MMsINC code: MMs03444003
Type: Neutral
Formula: C20H18Cl2N2O3
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCc1ccc(OC)cc1
InChI:   InChI=1/C20H18Cl2N2O3/c1-12-17(19(24-27-12)18-15(21)4-3-5-16(18)22)20(25)23-11-10-13-6-8-14(26-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.281 g/mol  logS: -6.23426  SlogP: 4.93789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595926  Sterimol/B1: 2.25154  Sterimol/B2: 4.51038  Sterimol/B3: 4.77511
  Sterimol/B4: 10.281  Sterimol/L: 17.2058 
 
 Surface and Volume Properties
  Accessible surface: 658.977  Positive charged surface: 348.275  Negative charged surface: 310.702  Volume: 361.125
  Hydrophobic surface: 604.873  Hydrophilic surface: 54.104
 
 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.