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PUBCHEM-ZINC05113204

 MMsINC code: MMs03201557
Type: Ionized
Formula: C10H25N3O2+2
SMILES:   O=C([O-])CC[NH2+]CCCC[NH2+]CCC[NH3+]
InChI:   InChI=1/C10H23N3O2/c11-5-3-8-12-6-1-2-7-13-9-4-10(14)15/h12-13H,1-9,11H2,(H,14,15)/p+2

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Potential Energy
Epot(MMFF94)=4.84281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.329 g/mol  logS: 0.51387  SlogP: -4.3346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197267  Sterimol/B1: 2.38177  Sterimol/B2: 2.38479  Sterimol/B3: 3.04332
  Sterimol/B4: 3.124  Sterimol/L: 19.9654 
 
 Surface and Volume Properties
  Accessible surface: 522.452  Positive charged surface: 436.4  Negative charged surface: 86.0521  Volume: 235.125
  Hydrophobic surface: 275.525  Hydrophilic surface: 246.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 3
  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: 0
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Parent related molecule:


MMs03201556
PUBCHEM-ZINC05113204