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PUBCHEM-ZINC05777315

 MMsINC code: MMs03382978
Type: Neutral
Formula: C20H13ClN2O3
SMILES:   Clc1cc(ccc1)C(=O)NNC(=O)c1oc2c(c1)c1c(cc2)cccc1
InChI:   InChI=1/C20H13ClN2O3/c21-14-6-3-5-13(10-14)19(24)22-23-20(25)18-11-16-15-7-2-1-4-12(15)8-9-17(16)26-18/h1-11H,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=88.8618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.788 g/mol  logS: -7.79382  SlogP: 4.3142  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.25885e-07  Sterimol/B1: 2.0992  Sterimol/B2: 2.101  Sterimol/B3: 4.3955
  Sterimol/B4: 5.51116  Sterimol/L: 20.2516 
 
 Surface and Volume Properties
  Accessible surface: 614.347  Positive charged surface: 270.432  Negative charged surface: 326.71  Volume: 324.625
  Hydrophobic surface: 501.663  Hydrophilic surface: 112.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.