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ENAMINE-ZINC03337401

 MMsINC code: MMs01380761
Type: Neutral
Formula: C14H23ClN4O3
SMILES:   ClCC(=O)N(CCCC)C=1C(=O)NC(=O)N(CC(C)C)C=1N
InChI:   InChI=1/C14H23ClN4O3/c1-4-5-6-18(10(20)7-15)11-12(16)19(8-9(2)3)14(22)17-13(11)21/h9H,4-8,16H2,1-3H3,(H,17,21,22)

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Potential Energy
Epot(MMFF94)=56.0821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.816 g/mol  logS: -3.02554  SlogP: 1.1895  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.160093  Sterimol/B1: 2.24613  Sterimol/B2: 2.94424  Sterimol/B3: 5.39795
  Sterimol/B4: 8.63909  Sterimol/L: 14.911 
 
 Surface and Volume Properties
  Accessible surface: 560.235  Positive charged surface: 345.984  Negative charged surface: 214.251  Volume: 302.875
  Hydrophobic surface: 279.857  Hydrophilic surface: 280.378
 
 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.