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PUBCHEM-ZINC05293029

 MMsINC code: MMs03234168
Type: Neutral
Formula: C12H18N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC)C(=O)NC12CCCC2
InChI:   InChI=1/C12H18N4O4/c1-2-13-10(19)14-8(17)7-16-9(18)12(15-11(16)20)5-3-4-6-12/h2-7H2,1H3,(H,15,20)(H2,13,14,17,19)

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Potential Energy
Epot(MMFF94)=-0.789705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.3 g/mol  logS: -1.71872  SlogP: -0.3033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0491649  Sterimol/B1: 3.27783  Sterimol/B2: 3.60827  Sterimol/B3: 3.74217
  Sterimol/B4: 4.63172  Sterimol/L: 16.9751 
 
 Surface and Volume Properties
  Accessible surface: 517.956  Positive charged surface: 363.456  Negative charged surface: 154.5  Volume: 256
  Hydrophobic surface: 301.867  Hydrophilic surface: 216.089
 
 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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Ions/Tautomers related molecules: no related molecules available.