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ENAMINE-ZINC01696332

 MMsINC code: MMs01243439
Type: Neutral
Formula: C13H22N4O3
SMILES:   O=C1NC(=O)N(CCC)C(N)=C1N(C(=O)C)CCCC
InChI:   InChI=1/C13H22N4O3/c1-4-6-8-16(9(3)18)10-11(14)17(7-5-2)13(20)15-12(10)19/h4-8,14H2,1-3H3,(H,15,19,20)

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Potential Energy
Epot(MMFF94)=37.4025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.344 g/mol  logS: -2.06585  SlogP: 0.7246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164579  Sterimol/B1: 2.13641  Sterimol/B2: 3.62517  Sterimol/B3: 4.91569
  Sterimol/B4: 7.22517  Sterimol/L: 14.7305 
 
 Surface and Volume Properties
  Accessible surface: 523.327  Positive charged surface: 358.546  Negative charged surface: 164.781  Volume: 274.375
  Hydrophobic surface: 313.272  Hydrophilic surface: 210.055
 
 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.