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ENAMINE-ZINC03310788

 MMsINC code: MMs01363791
Type: Tautomer
Formula: C14H24N4O3
SMILES:   O=C(N)C1CCN(CC1)CC(=O)NC(=O)NC1CCCC1
InChI:   InChI=1/C14H24N4O3/c15-13(20)10-5-7-18(8-6-10)9-12(19)17-14(21)16-11-3-1-2-4-11/h10-11H,1-9H2,(H2,15,20)(H2,16,17,19,21)

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Potential Energy
Epot(MMFF94)=29.8368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.371 g/mol  logS: -1.43287  SlogP: -0.0479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391582  Sterimol/B1: 2.35704  Sterimol/B2: 3.06965  Sterimol/B3: 4.56224
  Sterimol/B4: 4.87205  Sterimol/L: 18.1154 
 
 Surface and Volume Properties
  Accessible surface: 563.666  Positive charged surface: 438.169  Negative charged surface: 125.497  Volume: 286.5
  Hydrophobic surface: 372.623  Hydrophilic surface: 191.043
 
 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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Parent related molecule:


MMs01363790
ENAMINE-ZINC03310788