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ENAMINE-ZINC03379409

 MMsINC code: MMs01405914
Type: Neutral
Formula: C12H20N4O2
SMILES:   O=C1NC(=O)N(CCC)C(N)=C1N1CCCCC1
InChI:   InChI=1/C12H20N4O2/c1-2-6-16-10(13)9(11(17)14-12(16)18)15-7-4-3-5-8-15/h2-8,13H2,1H3,(H,14,17,18)

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Potential Energy
Epot(MMFF94)=23.7541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.318 g/mol  logS: -1.59975  SlogP: 0.5619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958329  Sterimol/B1: 2.53608  Sterimol/B2: 3.00182  Sterimol/B3: 3.86286
  Sterimol/B4: 5.92396  Sterimol/L: 14.2584 
 
 Surface and Volume Properties
  Accessible surface: 459.755  Positive charged surface: 350.687  Negative charged surface: 109.068  Volume: 244.5
  Hydrophobic surface: 293.266  Hydrophilic surface: 166.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.