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NCID-ZINC01693639

 MMsINC code: MMs02325103
Type: Neutral
Formula: C10H20O3
SMILES:   O(C(COC)C)C(=O)CCCCC
InChI:   InChI=1/C10H20O3/c1-4-5-6-7-10(11)13-9(2)8-12-3/h9H,4-8H2,1-3H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=19.2345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -2.22335  SlogP: 2.1448  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.041574  Sterimol/B1: 2.93962  Sterimol/B2: 3.11632  Sterimol/B3: 3.29419
  Sterimol/B4: 4.44158  Sterimol/L: 16.0409 
 
 Surface and Volume Properties
  Accessible surface: 460.733  Positive charged surface: 375.332  Negative charged surface: 85.401  Volume: 208.375
  Hydrophobic surface: 385.968  Hydrophilic surface: 74.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.