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PUBCHEM-ZINC05854528

 MMsINC code: MMs03418862
Type: Ionized
Formula: C11H19N2O3+
SMILES:   O(C(=O)C(=O)N1C2CCC1C[NH+](C2)C)CC
InChI:   InChI=1/C11H18N2O3/c1-3-16-11(15)10(14)13-8-4-5-9(13)7-12(2)6-8/h8-9H,3-7H2,1-2H3/p+1/t8-,9+

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Potential Energy
Epot(MMFF94)=78.9961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -0.96722  SlogP: -1.5626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13128  Sterimol/B1: 3.60352  Sterimol/B2: 4.06587  Sterimol/B3: 4.17303
  Sterimol/B4: 4.48895  Sterimol/L: 13.9198 
 
 Surface and Volume Properties
  Accessible surface: 455.763  Positive charged surface: 357.918  Negative charged surface: 97.8452  Volume: 223.875
  Hydrophobic surface: 319.934  Hydrophilic surface: 135.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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:


MMs03418861
PUBCHEM-ZINC05854528