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ACROSORGANICS-ZINC04284502

 MMsINC code: MMs00018157
Type: Neutral
Formula: C15H30O3
SMILES:   OC(=O)CCCCCCCCCCCCCCO
InChI:   InChI=1/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=-2.23142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.402 g/mol  logS: -4.50805  SlogP: 4.1346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133828  Sterimol/B1: 2.1229  Sterimol/B2: 2.37502  Sterimol/B3: 2.37597
  Sterimol/B4: 3.8098  Sterimol/L: 24.0614 
 
 Surface and Volume Properties
  Accessible surface: 606.842  Positive charged surface: 485.527  Negative charged surface: 121.315  Volume: 288.25
  Hydrophobic surface: 453.924  Hydrophilic surface: 152.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00018158
ACROSORGANICS-ZINC04284502