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PUBCHEM-ZINC03613582

 MMsINC code: MMs03022413
Type: Neutral
Formula: C14H21Cl2NO2
SMILES:   Clc1cc(Cl)cc(OCCCN(CC)CC)c1OC
InChI:   InChI=1/C14H21Cl2NO2/c1-4-17(5-2)7-6-8-19-13-10-11(15)9-12(16)14(13)18-3/h9-10H,4-8H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.8316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.233 g/mol  logS: -3.7083  SlogP: 4.1127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0449584  Sterimol/B1: 2.43212  Sterimol/B2: 3.84819  Sterimol/B3: 4.42992
  Sterimol/B4: 7.04582  Sterimol/L: 15.7011 
 
 Surface and Volume Properties
  Accessible surface: 571.898  Positive charged surface: 354.435  Negative charged surface: 217.463  Volume: 291.5
  Hydrophobic surface: 514.86  Hydrophilic surface: 57.038
 
 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


MMs03022414
PUBCHEM-ZINC03613582