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ENAMINE-ZINC03278039

 MMsINC code: MMs01346347
Type: Neutral
Formula: C14H23ClN4O3
SMILES:   ClCC(=O)N(CCCC)C=1C(=O)NC(=O)N(CCCC)C=1N
InChI:   InChI=1/C14H23ClN4O3/c1-3-5-7-18(10(20)9-15)11-12(16)19(8-6-4-2)14(22)17-13(11)21/h3-9,16H2,1-2H3,(H,17,21,22)

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Potential Energy
Epot(MMFF94)=38.7166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.816 g/mol  logS: -3.33899  SlogP: 1.3336  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.128671  Sterimol/B1: 2.8238  Sterimol/B2: 3.73086  Sterimol/B3: 5.67854
  Sterimol/B4: 6.83092  Sterimol/L: 16.4858 
 
 Surface and Volume Properties
  Accessible surface: 579.446  Positive charged surface: 368.259  Negative charged surface: 211.187  Volume: 306.25
  Hydrophobic surface: 309.265  Hydrophilic surface: 270.181
 
 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.