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PUBCHEM-ZINC05605862

 MMsINC code: MMs03322760
Type: Ionized
Formula: C11H20NO2+
SMILES:   O(C(=O)C1C2[NH+](CCC1)CCCC2)C
InChI:   InChI=1/C11H19NO2/c1-14-11(13)9-5-4-8-12-7-3-2-6-10(9)12/h9-10H,2-8H2,1H3/p+1/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=5.68739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.286 g/mol  logS: -0.93522  SlogP: 0.0068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232833  Sterimol/B1: 2.5211  Sterimol/B2: 2.63212  Sterimol/B3: 4.13615
  Sterimol/B4: 6.5802  Sterimol/L: 11.4682 
 
 Surface and Volume Properties
  Accessible surface: 407.586  Positive charged surface: 355.311  Negative charged surface: 52.275  Volume: 208.75
  Hydrophobic surface: 373.244  Hydrophilic surface: 34.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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:


MMs03322759
PUBCHEM-ZINC05605862