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ENAMINE-ZINC03553263

 MMsINC code: MMs01504877
Type: Neutral
Formula: C17H13ClN2O4
SMILES:   Clc1ccccc1OCC(=O)NNC(=O)c1oc2c(c1)cccc2
InChI:   InChI=1/C17H13ClN2O4/c18-12-6-2-4-8-14(12)23-10-16(21)19-20-17(22)15-9-11-5-1-3-7-13(11)24-15/h1-9H,10H2,(H,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=92.4518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.754 g/mol  logS: -5.99276  SlogP: 2.9262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00144276  Sterimol/B1: 2.37433  Sterimol/B2: 2.37579  Sterimol/B3: 4.39004
  Sterimol/B4: 4.98638  Sterimol/L: 20.6745 
 
 Surface and Volume Properties
  Accessible surface: 603.711  Positive charged surface: 301.059  Negative charged surface: 296.809  Volume: 300.625
  Hydrophobic surface: 478.725  Hydrophilic surface: 124.986
 
 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.