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NCID-ZINC01640361

 MMsINC code: MMs02282409
Type: Neutral
Formula: C6H14N4O2
SMILES:   O=C(NCCCCNC(=O)N)N
InChI:   InChI=1/C6H14N4O2/c7-5(11)9-3-1-2-4-10-6(8)12/h1-4H2,(H3,7,9,11)(H3,8,10,12)

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Potential Energy
Epot(MMFF94)=-57.3118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.204 g/mol  logS: -0.23364  SlogP: -0.8968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019209  Sterimol/B1: 2.37494  Sterimol/B2: 2.37588  Sterimol/B3: 2.94971
  Sterimol/B4: 3.76454  Sterimol/L: 15.1693 
 
 Surface and Volume Properties
  Accessible surface: 394.177  Positive charged surface: 303.048  Negative charged surface: 91.1292  Volume: 166.625
  Hydrophobic surface: 134.391  Hydrophilic surface: 259.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.