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NCID-ZINC05053053

 MMsINC code: MMs02434367
Type: Neutral
Formula: C16H26O5
SMILES:   O1C(C)(C2(O)C(OC)C(=O)CCC23OC3)C1CCC(C)C
InChI:   InChI=1/C16H26O5/c1-10(2)5-6-12-14(3,21-12)16(18)13(19-4)11(17)7-8-15(16)9-20-15/h10,12-13,18H,5-9H2,1-4H3/t12-,13-,14-,15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=227.666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.379 g/mol  logS: -3.07933  SlogP: 1.4581  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.130252  Sterimol/B1: 3.46429  Sterimol/B2: 3.81087  Sterimol/B3: 4.31459
  Sterimol/B4: 6.44179  Sterimol/L: 13.7414 
 
 Surface and Volume Properties
  Accessible surface: 498.352  Positive charged surface: 325.291  Negative charged surface: 173.06  Volume: 290.5
  Hydrophobic surface: 374.152  Hydrophilic surface: 124.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.