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PUBCHEM-ZINC06477565

 MMsINC code: MMs03756682
Type: Neutral
Formula: C14H13ClN2O4
SMILES:   Clc1ccc(OCC(=O)NNC(=O)c2occc2)cc1C
InChI:   InChI=1/C14H13ClN2O4/c1-9-7-10(4-5-11(9)15)21-8-13(18)16-17-14(19)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=78.1335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.721 g/mol  logS: -4.30655  SlogP: 2.08142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00371634  Sterimol/B1: 2.3756  Sterimol/B2: 2.43282  Sterimol/B3: 2.51188
  Sterimol/B4: 5.80643  Sterimol/L: 19.5292 
 
 Surface and Volume Properties
  Accessible surface: 555.429  Positive charged surface: 271.922  Negative charged surface: 283.506  Volume: 269.875
  Hydrophobic surface: 424.887  Hydrophilic surface: 130.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.