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PUBCHEM-ZINC01530455

 MMsINC code: MMs02813336
Type: Neutral
Formula: C18H20Cl2N2O3
SMILES:   Clc1cc(cc(Cl)c1OCCCCCc1onc(c1)C)C=1OCCN=1
InChI:   InChI=1/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3

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Potential Energy
Epot(MMFF94)=75.7207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.275 g/mol  logS: -5.07652  SlogP: 4.85839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018497  Sterimol/B1: 2.81554  Sterimol/B2: 3.7858  Sterimol/B3: 3.9629
  Sterimol/B4: 5.49506  Sterimol/L: 22.3341 
 
 Surface and Volume Properties
  Accessible surface: 665.713  Positive charged surface: 398.148  Negative charged surface: 267.565  Volume: 344.25
  Hydrophobic surface: 603.338  Hydrophilic surface: 62.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.