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ENAMINE-ZINC05062354

 MMsINC code: MMs01580994
Type: Neutral
Formula: C18H21ClN2O4
SMILES:   Clc1cc(cc(OC)c1OCCCC)C(=O)Nc1ccc(OC)nc1
InChI:   InChI=1/C18H21ClN2O4/c1-4-5-8-25-17-14(19)9-12(10-15(17)23-2)18(22)21-13-6-7-16(24-3)20-11-13/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=97.6525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.829 g/mol  logS: -4.33762  SlogP: 4.1834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0232188  Sterimol/B1: 2.75995  Sterimol/B2: 3.21753  Sterimol/B3: 4.3147
  Sterimol/B4: 7.04902  Sterimol/L: 21.4526 
 
 Surface and Volume Properties
  Accessible surface: 655.048  Positive charged surface: 464.576  Negative charged surface: 190.472  Volume: 338.5
  Hydrophobic surface: 557.839  Hydrophilic surface: 97.209
 
 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.