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PUBCHEM-ZINC03874434

 MMsINC code: MMs03082357
Type: Neutral
Formula: C9H20N4O2
SMILES:   OC(=O)C(N)CCCN\C(=N/CCC)\N
InChI:   InChI=1/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.0996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.285 g/mol  logS: -0.42481  SlogP: -0.5072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0687152  Sterimol/B1: 2.08785  Sterimol/B2: 3.12702  Sterimol/B3: 3.83981
  Sterimol/B4: 6.95404  Sterimol/L: 14.6134 
 
 Surface and Volume Properties
  Accessible surface: 479.364  Positive charged surface: 358.194  Negative charged surface: 121.17  Volume: 219.125
  Hydrophobic surface: 226.331  Hydrophilic surface: 253.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.