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ACROSORGANICS-ZINC03861297

 MMsINC code: MMs00015823
Type: Neutral
Formula: C16H32O3
SMILES:   OC(=O)CCCCCCCCCCCCCCCO
InChI:   InChI=1/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=-2.1856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.429 g/mol  logS: -5.02327  SlogP: 4.5247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.012002  Sterimol/B1: 2.37504  Sterimol/B2: 2.37594  Sterimol/B3: 2.82434
  Sterimol/B4: 3.09605  Sterimol/L: 25.3154 
 
 Surface and Volume Properties
  Accessible surface: 637.47  Positive charged surface: 513.199  Negative charged surface: 124.271  Volume: 307.875
  Hydrophobic surface: 485.382  Hydrophilic surface: 152.088
 
 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: 0
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Ions/Tautomers related molecules


MMs00015824
ACROSORGANICS-ZINC03861297