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PUBCHEM-ZINC06042392

 MMsINC code: MMs03509172
Type: Ionized
Formula: C11H20NO3-
SMILES:   O=C(NC(CCCCC)C)CCC(=O)[O-]
InChI:   InChI=1/C11H21NO3/c1-3-4-5-6-9(2)12-10(13)7-8-11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)/p-1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.27269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.285 g/mol  logS: -2.18509  SlogP: 0.6015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603785  Sterimol/B1: 2.79016  Sterimol/B2: 3.18032  Sterimol/B3: 3.3975
  Sterimol/B4: 7.03136  Sterimol/L: 15.2949 
 
 Surface and Volume Properties
  Accessible surface: 489.078  Positive charged surface: 333.681  Negative charged surface: 155.397  Volume: 228.375
  Hydrophobic surface: 308.791  Hydrophilic surface: 180.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs03509171
PUBCHEM-ZINC06042392