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ENAMINE-ZINC03886744

 MMsINC code: MMs01528068
Type: Neutral
Formula: C13H21ClN4O3
SMILES:   ClCC(=O)N(CCCC)C=1C(=O)NC(=O)N(CCC)C=1N
InChI:   InChI=1/C13H21ClN4O3/c1-3-5-7-17(9(19)8-14)10-11(15)18(6-4-2)13(21)16-12(10)20/h3-8,15H2,1-2H3,(H,16,20,21)

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Potential Energy
Epot(MMFF94)=43.1256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.789 g/mol  logS: -2.82377  SlogP: 0.9435  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.163986  Sterimol/B1: 2.13493  Sterimol/B2: 3.61003  Sterimol/B3: 4.92406
  Sterimol/B4: 8.85159  Sterimol/L: 14.7303 
 
 Surface and Volume Properties
  Accessible surface: 548.71  Positive charged surface: 339.064  Negative charged surface: 209.646  Volume: 289.875
  Hydrophobic surface: 272.575  Hydrophilic surface: 276.135
 
 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.