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ENAMINE-ZINC06941619

 MMsINC code: MMs01715200
Type: Neutral
Formula: C12H22N4O3
SMILES:   O=C(NC(C)C)C(=O)NNC(=O)NC1CCCCC1
InChI:   InChI=1/C12H22N4O3/c1-8(2)13-10(17)11(18)15-16-12(19)14-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,18)(H2,14,16,19)

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Potential Energy
Epot(MMFF94)=31.5988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.333 g/mol  logS: -2.18695  SlogP: 0.1741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477381  Sterimol/B1: 2.29401  Sterimol/B2: 2.32008  Sterimol/B3: 4.77245
  Sterimol/B4: 5.89955  Sterimol/L: 17.1022 
 
 Surface and Volume Properties
  Accessible surface: 540.652  Positive charged surface: 379.725  Negative charged surface: 160.927  Volume: 264
  Hydrophobic surface: 330.044  Hydrophilic surface: 210.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.