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NCID-ZINC01646820

 MMsINC code: MMs02287436
Type: Neutral
Formula: C16H30O3
SMILES:   O=C1C(CCCCCC1(CCCO)C)(CCCO)C
InChI:   InChI=1/C16H30O3/c1-15(10-6-12-17)8-4-3-5-9-16(2,14(15)19)11-7-13-18/h17-18H,3-13H2,1-2H3/t15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=109.237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.413 g/mol  logS: -2.33843  SlogP: 3.0772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152412  Sterimol/B1: 2.11903  Sterimol/B2: 4.10096  Sterimol/B3: 5.4606
  Sterimol/B4: 6.22757  Sterimol/L: 14.7157 
 
 Surface and Volume Properties
  Accessible surface: 507.902  Positive charged surface: 383.296  Negative charged surface: 124.606  Volume: 288.625
  Hydrophobic surface: 359.583  Hydrophilic surface: 148.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.