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ACROSORGANICS-ZINC02510086

 MMsINC code: MMs00013726
Type: Neutral
Formula: C17H32O2
SMILES:   OC(=O)CCCCCCCCCCC1CCCCC1
InChI:   InChI=1/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=3.84461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.441 g/mol  logS: -6.90655  SlogP: 5.5523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193309  Sterimol/B1: 2.68067  Sterimol/B2: 3.33493  Sterimol/B3: 3.36105
  Sterimol/B4: 4.37676  Sterimol/L: 22.0863 
 
 Surface and Volume Properties
  Accessible surface: 603.586  Positive charged surface: 483.002  Negative charged surface: 120.584  Volume: 307.75
  Hydrophobic surface: 506.007  Hydrophilic surface: 97.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs00013727
ACROSORGANICS-ZINC02510086