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NCID-ZINC01672476

 MMsINC code: MMs02308527
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(C(C(OCC)=O)C)C1CCCCC1)C(=O)C
InChI:   InChI=1/C14H24O4/c1-4-17-14(16)10(2)13(18-11(3)15)12-8-6-5-7-9-12/h10,12-13H,4-9H2,1-3H3/t10-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=32.2351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -2.99951  SlogP: 2.6976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105723  Sterimol/B1: 3.29685  Sterimol/B2: 3.49858  Sterimol/B3: 3.9938
  Sterimol/B4: 6.47537  Sterimol/L: 14.9034 
 
 Surface and Volume Properties
  Accessible surface: 508.97  Positive charged surface: 374.264  Negative charged surface: 134.706  Volume: 263.5
  Hydrophobic surface: 421.779  Hydrophilic surface: 87.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.