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PUBCHEM-ZINC05116508

 MMsINC code: MMs03204239
Type: Neutral
Formula: C10H15N3O3
SMILES:   O=C1N(C2CCCCC2)C(=O)NC(=O)N1C
InChI:   InChI=1/C10H15N3O3/c1-12-8(14)11-9(15)13(10(12)16)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,11,14,15)

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Potential Energy
Epot(MMFF94)=-49.1382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.248 g/mol  logS: -1.68413  SlogP: 1.5161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133185  Sterimol/B1: 2.47443  Sterimol/B2: 3.6217  Sterimol/B3: 3.62753
  Sterimol/B4: 5.38885  Sterimol/L: 12.6223 
 
 Surface and Volume Properties
  Accessible surface: 402.007  Positive charged surface: 296.686  Negative charged surface: 105.321  Volume: 203.625
  Hydrophobic surface: 274.099  Hydrophilic surface: 127.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.