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PUBCHEM-ZINC05621432

 MMsINC code: MMs03326779
Type: Neutral
Formula: C11H18N4O4
SMILES:   O=C1N(CCCCCCNC(=O)N)C(=O)NC(=O)C1
InChI:   InChI=1/C11H18N4O4/c12-10(18)13-5-3-1-2-4-6-15-9(17)7-8(16)14-11(15)19/h1-7H2,(H3,12,13,18)(H,14,16,19)

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Potential Energy
Epot(MMFF94)=-57.5982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.289 g/mol  logS: -1.23058  SlogP: -0.3164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455493  Sterimol/B1: 2.73681  Sterimol/B2: 3.23022  Sterimol/B3: 3.72807
  Sterimol/B4: 5.15095  Sterimol/L: 18.4333 
 
 Surface and Volume Properties
  Accessible surface: 518.731  Positive charged surface: 361.197  Negative charged surface: 157.535  Volume: 245.125
  Hydrophobic surface: 233.356  Hydrophilic surface: 285.375
 
 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.