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PUBCHEM-ZINC05850281

 MMsINC code: MMs03416353
Type: Neutral
Formula: C10H18N4O2-2
SMILES:   O=C1NCC[N-]CCC[N-]CCNC(=O)C1
InChI:   InChI=1/C10H18N4O2/c15-9-8-10(16)14-7-5-12-3-1-2-11-4-6-13-9/h1-8H2,(H,13,15)(H,14,16)/q-2

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Potential Energy
Epot(MMFF94)=56.8167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.28 g/mol  logS: 0.24913  SlogP: -0.24  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127464  Sterimol/B1: 2.51833  Sterimol/B2: 2.57464  Sterimol/B3: 3.49806
  Sterimol/B4: 8.48352  Sterimol/L: 10.9435 
 
 Surface and Volume Properties
  Accessible surface: 420.022  Positive charged surface: 293.806  Negative charged surface: 126.216  Volume: 223.25
  Hydrophobic surface: 310.361  Hydrophilic surface: 109.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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


MMs03416354
PUBCHEM-ZINC05850281