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NCID-ZINC01666513

 MMsINC code: MMs02302714
Type: Ionized
Formula: C11H19O4-
SMILES:   OC(=O)CC(CCCCC)(CC(=O)[O-])C
InChI:   InChI=1/C11H20O4/c1-3-4-5-6-11(2,7-9(12)13)8-10(14)15/h3-8H2,1-2H3,(H,12,13)(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=11.0244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.269 g/mol  logS: -2.8996  SlogP: 1.1877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12169  Sterimol/B1: 2.86642  Sterimol/B2: 3.88162  Sterimol/B3: 4.033
  Sterimol/B4: 4.65978  Sterimol/L: 14.324 
 
 Surface and Volume Properties
  Accessible surface: 445.142  Positive charged surface: 288.47  Negative charged surface: 156.672  Volume: 219.125
  Hydrophobic surface: 248.178  Hydrophilic surface: 196.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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MMs02302713
NCID-ZINC01666513