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ENAMINE-ZINC06022825

 MMsINC code: MMs01649830
Type: Neutral
Formula: C14H22N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)(C)C)C(=O)NC12CCCC2
InChI:   InChI=1/C14H22N4O4/c1-13(2,3)16-11(21)15-9(19)8-18-10(20)14(17-12(18)22)6-4-5-7-14/h4-8H2,1-3H3,(H,17,22)(H2,15,16,19,21)

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Potential Energy
Epot(MMFF94)=19.1471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.354 g/mol  logS: -2.37314  SlogP: 0.4753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057943  Sterimol/B1: 2.0281  Sterimol/B2: 3.94664  Sterimol/B3: 4.51933
  Sterimol/B4: 5.03095  Sterimol/L: 16.978 
 
 Surface and Volume Properties
  Accessible surface: 551.889  Positive charged surface: 378.813  Negative charged surface: 173.076  Volume: 290
  Hydrophobic surface: 326.07  Hydrophilic surface: 225.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.