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PUBCHEM-ZINC03033039

 MMsINC code: MMs02983422
Type: Neutral
Formula: C11H19N3O3
SMILES:   O=C1NC(=O)CN(C1)CCCCCCC(=O)N
InChI:   InChI=1/C11H19N3O3/c12-9(15)5-3-1-2-4-6-14-7-10(16)13-11(17)8-14/h1-8H2,(H2,12,15)(H,13,16,17)

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Potential Energy
Epot(MMFF94)=33.4164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.291 g/mol  logS: -1.47816  SlogP: -0.6194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0296303  Sterimol/B1: 2.34644  Sterimol/B2: 2.71165  Sterimol/B3: 3.2138
  Sterimol/B4: 5.72015  Sterimol/L: 17.0896 
 
 Surface and Volume Properties
  Accessible surface: 488.85  Positive charged surface: 355.462  Negative charged surface: 133.388  Volume: 230.75
  Hydrophobic surface: 250.617  Hydrophilic surface: 238.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.