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PUBCHEM-ZINC04097170

 MMsINC code: MMs03090324
Type: Neutral
Formula: C21H26Cl2N2O6
SMILES:   Clc1cc(cc(Cl)c1OCCCCCc1onc(c1)COCOCCO)C=1OCCN=1
InChI:   InChI=1/C21H26Cl2N2O6/c22-18-10-15(21-24-5-8-30-21)11-19(23)20(18)29-7-3-1-2-4-17-12-16(25-31-17)13-28-14-27-9-6-26/h10-12,26H,1-9,13-14H2

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Potential Energy
Epot(MMFF94)=91.7278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 473.353 g/mol  logS: -4.67785  SlogP: 4.29937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264011  Sterimol/B1: 3.49626  Sterimol/B2: 4.70781  Sterimol/B3: 4.9639
  Sterimol/B4: 5.94775  Sterimol/L: 23.9812 
 
 Surface and Volume Properties
  Accessible surface: 812.012  Positive charged surface: 547.413  Negative charged surface: 264.599  Volume: 422.875
  Hydrophobic surface: 667.364  Hydrophilic surface: 144.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.