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NCID-ZINC01672954

 MMsINC code: MMs02308978
Type: Neutral
Formula: C10H20O2
SMILES:   O(C(=O)CCCCC)CCCC
InChI:   InChI=1/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.89181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.268 g/mol  logS: -2.7977  SlogP: 2.91  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0238066  Sterimol/B1: 2.37402  Sterimol/B2: 2.37538  Sterimol/B3: 2.3756
  Sterimol/B4: 3.49839  Sterimol/L: 17.1023 
 
 Surface and Volume Properties
  Accessible surface: 451.638  Positive charged surface: 354.154  Negative charged surface: 97.4834  Volume: 200.375
  Hydrophobic surface: 369.136  Hydrophilic surface: 82.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.