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PUBCHEM-ZINC02021176

 MMsINC code: MMs02856464
Type: Neutral
Formula: C14H23ClN2O2
SMILES:   Clc1cc(N)cc(OC)c1OCCCN(CC)CC
InChI:   InChI=1/C14H23ClN2O2/c1-4-17(5-2)7-6-8-19-14-12(15)9-11(16)10-13(14)18-3/h9-10H,4-8,16H2,1-3H3

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Potential Energy
Epot(MMFF94)=65.8325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.803 g/mol  logS: -2.69489  SlogP: 3.0415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563212  Sterimol/B1: 2.39185  Sterimol/B2: 2.93651  Sterimol/B3: 4.62438
  Sterimol/B4: 7.54904  Sterimol/L: 15.9897 
 
 Surface and Volume Properties
  Accessible surface: 561.974  Positive charged surface: 406.273  Negative charged surface: 155.702  Volume: 287.875
  Hydrophobic surface: 444.543  Hydrophilic surface: 117.431
 
 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


MMs02856465
PUBCHEM-ZINC02021176