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ENAMINE-ZINC00521877

 MMsINC code: MMs01232499
Type: Neutral
Formula: C16H11ClN2O3
SMILES:   Clc1ccc(cc1)C(=O)NNC(=O)c1oc2c(c1)cccc2
InChI:   InChI=1/C16H11ClN2O3/c17-12-7-5-10(6-8-12)15(20)18-19-16(21)14-9-11-3-1-2-4-13(11)22-14/h1-9H,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=74.3377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.728 g/mol  logS: -5.91594  SlogP: 3.161  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.92027e-07  Sterimol/B1: 2.09779  Sterimol/B2: 2.10172  Sterimol/B3: 3.98742
  Sterimol/B4: 4.21307  Sterimol/L: 19.5919 
 
 Surface and Volume Properties
  Accessible surface: 554.187  Positive charged surface: 248.081  Negative charged surface: 300.263  Volume: 276.625
  Hydrophobic surface: 441.268  Hydrophilic surface: 112.919
 
 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.