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PUBCHEM-ZINC05016686

 MMsINC code: MMs03189767
Type: Neutral
Formula: C9H17N3O3
SMILES:   O=C(N(CC(=O)N)CC(=O)N)CC(C)C
InChI:   InChI=1/C9H17N3O3/c1-6(2)3-9(15)12(4-7(10)13)5-8(11)14/h6H,3-5H2,1-2H3,(H2,10,13)(H2,11,14)

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Potential Energy
Epot(MMFF94)=44.0108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.253 g/mol  logS: -1.45381  SlogP: -1.1683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151997  Sterimol/B1: 2.16479  Sterimol/B2: 3.01039  Sterimol/B3: 4.69967
  Sterimol/B4: 6.73704  Sterimol/L: 12.1383 
 
 Surface and Volume Properties
  Accessible surface: 434.239  Positive charged surface: 306.725  Negative charged surface: 127.515  Volume: 207.375
  Hydrophobic surface: 171.491  Hydrophilic surface: 262.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.