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ENAMINE-ZINC02617755

 MMsINC code: MMs01253494
Type: Neutral
Formula: C14H11Cl2N3O3
SMILES:   Clc1cc(cnc1Cl)C(=O)NNC(=O)c1ccc(OC)cc1
InChI:   InChI=1/C14H11Cl2N3O3/c1-22-10-4-2-8(3-5-10)13(20)18-19-14(21)9-6-11(15)12(16)17-7-9/h2-7H,1H3,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=95.3135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.166 g/mol  logS: -4.15548  SlogP: 2.4718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00227607  Sterimol/B1: 2.37434  Sterimol/B2: 2.37479  Sterimol/B3: 2.98764
  Sterimol/B4: 5.7455  Sterimol/L: 19.4402 
 
 Surface and Volume Properties
  Accessible surface: 558.762  Positive charged surface: 270.006  Negative charged surface: 288.755  Volume: 281.5
  Hydrophobic surface: 429.121  Hydrophilic surface: 129.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.