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PUBCHEM-ZINC05820659

 MMsINC code: MMs03399628
Type: Ionized
Formula: C10H19N2O3-
SMILES:   O=C([O-])CCCCN(N=O)CCCCC
InChI:   InChI=1/C10H20N2O3/c1-2-3-5-8-12(11-15)9-6-4-7-10(13)14/h2-9H2,1H3,(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=9.53186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.273 g/mol  logS: -1.892  SlogP: 1.0802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772729  Sterimol/B1: 2.78404  Sterimol/B2: 3.161  Sterimol/B3: 3.2704
  Sterimol/B4: 7.41911  Sterimol/L: 14.2274 
 
 Surface and Volume Properties
  Accessible surface: 478.465  Positive charged surface: 300.246  Negative charged surface: 178.218  Volume: 219.875
  Hydrophobic surface: 353.176  Hydrophilic surface: 125.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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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Parent related molecule:


MMs03399627
PUBCHEM-ZINC05820659