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NCID-ZINC01558609

 MMsINC code: MMs02221589
Type: Neutral
Formula: C16H24O2
SMILES:   OC(=O)CCCCCCCCCc1ccccc1
InChI:   InChI=1/C16H24O2/c17-16(18)14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,1-5,7,10-11,14H2,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.3979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.366 g/mol  logS: -4.90421  SlogP: 4.43447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362875  Sterimol/B1: 2.59732  Sterimol/B2: 3.6161  Sterimol/B3: 3.63364
  Sterimol/B4: 4.2821  Sterimol/L: 20.4852 
 
 Surface and Volume Properties
  Accessible surface: 564.015  Positive charged surface: 395.251  Negative charged surface: 168.765  Volume: 276.625
  Hydrophobic surface: 466.649  Hydrophilic surface: 97.366
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02221590
NCID-ZINC01558609