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PUBCHEM-ZINC05972846

 MMsINC code: MMs03468375
Type: Ionized
Formula: C11H17O4-
SMILES:   OC1CCC(CC1C(=O)[O-])C(=O)CCC
InChI:   InChI=1/C11H18O4/c1-2-3-9(12)7-4-5-10(13)8(6-7)11(14)15/h7-8,10,13H,2-6H2,1H3,(H,14,15)/p-1/t7-,8+,10-/m0/s1

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Potential Energy
Epot(MMFF94)=5.44618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.253 g/mol  logS: -0.9671  SlogP: -0.1173  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118127  Sterimol/B1: 3.0392  Sterimol/B2: 3.51312  Sterimol/B3: 4.55845
  Sterimol/B4: 4.87587  Sterimol/L: 12.4587 
 
 Surface and Volume Properties
  Accessible surface: 412.955  Positive charged surface: 271.825  Negative charged surface: 141.129  Volume: 204.25
  Hydrophobic surface: 263.745  Hydrophilic surface: 149.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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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MMs03468374
PUBCHEM-ZINC05972846