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ENAMINE-ZINC03246457

 MMsINC code: MMs01327996
Type: Neutral
Formula: C13H22N4O2
SMILES:   O=C1NC(=O)N(CCCC)C(N)=C1NC1CCCC1
InChI:   InChI=1/C13H22N4O2/c1-2-3-8-17-11(14)10(12(18)16-13(17)19)15-9-6-4-5-7-9/h9,15H,2-8,14H2,1H3,(H,16,18,19)

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Potential Energy
Epot(MMFF94)=31.5244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.345 g/mol  logS: -2.18579  SlogP: 0.9983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829105  Sterimol/B1: 2.33031  Sterimol/B2: 2.60563  Sterimol/B3: 4.35584
  Sterimol/B4: 6.2321  Sterimol/L: 15.6562 
 
 Surface and Volume Properties
  Accessible surface: 502.579  Positive charged surface: 377.105  Negative charged surface: 125.473  Volume: 260.25
  Hydrophobic surface: 335.41  Hydrophilic surface: 167.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.