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PUBCHEM-ZINC03344815

 MMsINC code: MMs03012060
Type: Neutral
Formula: C19H23ClN2O3
SMILES:   Clc1cc(cc(OCC)c1OCCC)C(=O)NCCc1ncccc1
InChI:   InChI=1/C19H23ClN2O3/c1-3-11-25-18-16(20)12-14(13-17(18)24-4-2)19(23)22-10-8-15-7-5-6-9-21-15/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3,(H,22,23)

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Potential Energy
Epot(MMFF94)=73.4324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.857 g/mol  logS: -3.9464  SlogP: 3.89497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0292224  Sterimol/B1: 2.82907  Sterimol/B2: 3.01754  Sterimol/B3: 4.22195
  Sterimol/B4: 8.62803  Sterimol/L: 20.5304 
 
 Surface and Volume Properties
  Accessible surface: 677.766  Positive charged surface: 440.419  Negative charged surface: 237.347  Volume: 351.625
  Hydrophobic surface: 568.48  Hydrophilic surface: 109.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.