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PUBCHEM-ZINC00564339

 MMsINC code: MMs02704635
Type: Neutral
Formula: C18H17ClN2O3
SMILES:   Clc1ccc(cc1)C=1OC(N(N=1)C(=O)CC)c1ccc(OC)cc1
InChI:   InChI=1/C18H17ClN2O3/c1-3-16(22)21-18(13-6-10-15(23-2)11-7-13)24-17(20-21)12-4-8-14(19)9-5-12/h4-11,18H,3H2,1-2H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=84.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.798 g/mol  logS: -4.83115  SlogP: 4.0733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144988  Sterimol/B1: 2.31552  Sterimol/B2: 3.55616  Sterimol/B3: 4.69353
  Sterimol/B4: 9.46981  Sterimol/L: 16.6678 
 
 Surface and Volume Properties
  Accessible surface: 595.936  Positive charged surface: 348.05  Negative charged surface: 247.885  Volume: 318.875
  Hydrophobic surface: 522.496  Hydrophilic surface: 73.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.