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PUBCHEM-ZINC05859652

 MMsINC code: MMs03421527
Type: Neutral
Formula: C22H26Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)N\N=C(/CCCCC)\c1ccccc1
InChI:   InChI=1/C22H26Cl2N2O2/c1-2-3-5-11-20(17-9-6-4-7-10-17)25-26-22(27)12-8-15-28-21-14-13-18(23)16-19(21)24/h4,6-7,9-10,13-14,16H,2-3,5,8,11-12,15H2,1H3,(H,26,27)/b25-20-

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Potential Energy
Epot(MMFF94)=101.022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.368 g/mol  logS: -7.22083  SlogP: 6.2532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229489  Sterimol/B1: 2.63072  Sterimol/B2: 3.47351  Sterimol/B3: 4.04051
  Sterimol/B4: 8.69196  Sterimol/L: 23.7116 
 
 Surface and Volume Properties
  Accessible surface: 766.141  Positive charged surface: 424.629  Negative charged surface: 341.513  Volume: 405.625
  Hydrophobic surface: 682.623  Hydrophilic surface: 83.518
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.