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PUBCHEM-ZINC02856674

 MMsINC code: MMs02941386
Type: Neutral
Formula: C16H15ClN2O5
SMILES:   Clc1cc(NC(=O)Nc2cc3OCOc3cc2)c(OC)cc1OC
InChI:   InChI=1/C16H15ClN2O5/c1-21-13-7-14(22-2)11(6-10(13)17)19-16(20)18-9-3-4-12-15(5-9)24-8-23-12/h3-7H,8H2,1-2H3,(H2,18,19,20)

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Potential Energy
Epot(MMFF94)=97.1214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.758 g/mol  logS: -4.0422  SlogP: 3.7299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264103  Sterimol/B1: 2.55375  Sterimol/B2: 2.95123  Sterimol/B3: 3.52115
  Sterimol/B4: 8.34714  Sterimol/L: 18.579 
 
 Surface and Volume Properties
  Accessible surface: 580.434  Positive charged surface: 394.799  Negative charged surface: 185.635  Volume: 298.25
  Hydrophobic surface: 454.153  Hydrophilic surface: 126.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.