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ENAMINE-ZINC00525395

 MMsINC code: MMs01232583
Type: Neutral
Formula: C15H13ClN2O3
SMILES:   Clc1ccccc1C(=O)NNC(=O)\C=C\c1oc(cc1)C
InChI:   InChI=1/C15H13ClN2O3/c1-10-6-7-11(21-10)8-9-14(19)17-18-15(20)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20)/b9-8+

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Potential Energy
Epot(MMFF94)=64.5495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.733 g/mol  logS: -4.88847  SlogP: 2.71582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00185781  Sterimol/B1: 2.10155  Sterimol/B2: 2.51216  Sterimol/B3: 3.44981
  Sterimol/B4: 5.88342  Sterimol/L: 18.6962 
 
 Surface and Volume Properties
  Accessible surface: 557.536  Positive charged surface: 268.694  Negative charged surface: 288.842  Volume: 274.375
  Hydrophobic surface: 456.146  Hydrophilic surface: 101.39
 
 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.