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CHEMBRIDGE-ZINC03105979

 MMsINC code: MMs00752323
Type: Ionized
Formula: C10H11O5-
SMILES:   o1cccc1COC(=O)CCCC(=O)[O-]
InChI:   InChI=1/C10H12O5/c11-9(12)4-1-5-10(13)15-7-8-3-2-6-14-8/h2-3,6H,1,4-5,7H2,(H,11,12)/p-1

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Potential Energy
Epot(MMFF94)=4.51395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.193 g/mol  logS: -1.74008  SlogP: 0.5094  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0526298  Sterimol/B1: 2.33808  Sterimol/B2: 3.02927  Sterimol/B3: 3.62853
  Sterimol/B4: 4.55006  Sterimol/L: 15.3227 
 
 Surface and Volume Properties
  Accessible surface: 436.989  Positive charged surface: 235.443  Negative charged surface: 201.545  Volume: 192.875
  Hydrophobic surface: 282.137  Hydrophilic surface: 154.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs00752322
CHEMBRIDGE-ZINC03105979