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PUBCHEM-ZINC05605966

 MMsINC code: MMs03322815
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+/m0/s1

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Potential Energy
Epot(MMFF94)=7.92421 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: 0.109326  Sterimol/B1: 2.82957  Sterimol/B2: 3.22906  Sterimol/B3: 3.70566
  Sterimol/B4: 6.18165  Sterimol/L: 12.1191 
 
 Surface and Volume Properties
  Accessible surface: 412.335  Positive charged surface: 354.293  Negative charged surface: 58.0423  Volume: 209.875
  Hydrophobic surface: 363.095  Hydrophilic surface: 49.24
 
 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:


MMs03322814
PUBCHEM-ZINC05605966