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SIAL-ZINC04529594

 MMsINC code: MMs03917131
Type: Ionized
Formula: C8H13O3-
SMILES:   O(C)C1CC(CCC1)C(=O)[O-]
InChI:   InChI=1/C8H14O3/c1-11-7-4-2-3-6(5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/p-1/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=21.1205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.189 g/mol  logS: -0.70187  SlogP: -0.0585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121702  Sterimol/B1: 2.85963  Sterimol/B2: 3.03444  Sterimol/B3: 3.54524
  Sterimol/B4: 4.82232  Sterimol/L: 11.3174 
 
 Surface and Volume Properties
  Accessible surface: 347.217  Positive charged surface: 255.375  Negative charged surface: 91.8425  Volume: 154.75
  Hydrophobic surface: 255.413  Hydrophilic surface: 91.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  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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MMs03917130
SIAL-ZINC04529594