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PUBCHEM-ZINC05189751

 MMsINC code: MMs03222023
Type: Neutral
Formula: C5H10N4O2
SMILES:   O=[N+]([O-])NC=1NCCCCN=1
InChI:   InChI=1/C5H10N4O2/c10-9(11)8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-6.36111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.161 g/mol  logS: -1.12411  SlogP: -0.4929  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.141835  Sterimol/B1: 2.79389  Sterimol/B2: 3.1767  Sterimol/B3: 3.48815
  Sterimol/B4: 4.50559  Sterimol/L: 10.6367 
 
 Surface and Volume Properties
  Accessible surface: 327.568  Positive charged surface: 222.074  Negative charged surface: 105.493  Volume: 137.5
  Hydrophobic surface: 169.08  Hydrophilic surface: 158.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.