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PUBCHEM-ZINC05093712

 MMsINC code: MMs03198942
Type: Neutral
Formula: C18H19ClN2O4
SMILES:   Clc1c(cc(OCC(O\N=C(/N)\c2ccc(OC)cc2)=O)cc1C)C
InChI:   InChI=1/C18H19ClN2O4/c1-11-8-15(9-12(2)17(11)19)24-10-16(22)25-21-18(20)13-4-6-14(23-3)7-5-13/h4-9H,10H2,1-3H3,(H2,20,21)

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Potential Energy
Epot(MMFF94)=125.265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.813 g/mol  logS: -5.11066  SlogP: 3.20794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0046311  Sterimol/B1: 2.32749  Sterimol/B2: 2.51207  Sterimol/B3: 2.51232
  Sterimol/B4: 7.21193  Sterimol/L: 21.2527 
 
 Surface and Volume Properties
  Accessible surface: 644.168  Positive charged surface: 393.258  Negative charged surface: 250.91  Volume: 332.875
  Hydrophobic surface: 516.344  Hydrophilic surface: 127.824
 
 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.