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NCID-ZINC01724025

 MMsINC code: MMs02348090
Type: Neutral
Formula: C10H18O5
SMILES:   O(C(CC)C)C(=O)C(OC(=O)C(O)C)C
InChI:   InChI=1/C10H18O5/c1-5-6(2)14-10(13)8(4)15-9(12)7(3)11/h6-8,11H,5H2,1-4H3/t6-,7+,8+/m0/s1

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Potential Energy
Epot(MMFF94)=38.4689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.249 g/mol  logS: -1.71495  SlogP: 0.6406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107985  Sterimol/B1: 2.23075  Sterimol/B2: 2.46586  Sterimol/B3: 4.51914
  Sterimol/B4: 6.17784  Sterimol/L: 13.8242 
 
 Surface and Volume Properties
  Accessible surface: 465.964  Positive charged surface: 312.709  Negative charged surface: 153.255  Volume: 217
  Hydrophobic surface: 278.678  Hydrophilic surface: 187.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.