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PUBCHEM-ZINC06032109

 MMsINC code: MMs03504785
Type: Neutral
Formula: C10H16O5
SMILES:   OC1(CC(=O)C(CC1)C(O)(C(O)=O)C)C
InChI:   InChI=1/C10H16O5/c1-9(14)4-3-6(7(11)5-9)10(2,15)8(12)13/h6,14-15H,3-5H2,1-2H3,(H,12,13)/t6-,9+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=50.5063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -0.35785  SlogP: -0.0578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144703  Sterimol/B1: 2.77694  Sterimol/B2: 3.4533  Sterimol/B3: 3.62397
  Sterimol/B4: 4.2104  Sterimol/L: 11.543 
 
 Surface and Volume Properties
  Accessible surface: 393.62  Positive charged surface: 254.535  Negative charged surface: 139.085  Volume: 196
  Hydrophobic surface: 188.674  Hydrophilic surface: 204.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03504786
PUBCHEM-ZINC06032109