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PUBCHEM-ZINC06495365

 MMsINC code: MMs03768014
Type: Neutral
Formula: C6H14N4O2
SMILES:   OC1NC(NCC1C(=O)NN)C
InChI:   InChI=1/C6H14N4O2/c1-3-8-2-4(5(11)9-3)6(12)10-7/h3-5,8-9,11H,2,7H2,1H3,(H,10,12)/t3-,4+,5-/m0/s1

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Potential Energy
Epot(MMFF94)=0.850795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.204 g/mol  logS: 0.82564  SlogP: -2.5503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251531  Sterimol/B1: 2.09297  Sterimol/B2: 2.93348  Sterimol/B3: 4.10101
  Sterimol/B4: 5.74915  Sterimol/L: 10.5457 
 
 Surface and Volume Properties
  Accessible surface: 358.83  Positive charged surface: 276.73  Negative charged surface: 82.0999  Volume: 162
  Hydrophobic surface: 135.86  Hydrophilic surface: 222.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.