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PUBCHEM-ZINC05650668

 MMsINC code: MMs03336981
Type: Neutral
Formula: C10H16O4
SMILES:   O(C(=O)C1CCCCC1C(O)=O)CC
InChI:   InChI=1/C10H16O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=17.2056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -1.41754  SlogP: 1.4405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165604  Sterimol/B1: 3.22536  Sterimol/B2: 3.53179  Sterimol/B3: 4.69131
  Sterimol/B4: 4.97127  Sterimol/L: 11.158 
 
 Surface and Volume Properties
  Accessible surface: 400.3  Positive charged surface: 292.445  Negative charged surface: 107.855  Volume: 192.375
  Hydrophobic surface: 280.646  Hydrophilic surface: 119.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03336982
PUBCHEM-ZINC05650668