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PUBCHEM-ZINC01841034

 MMsINC code: MMs02821579
Type: Neutral
Formula: C10H22O
SMILES:   OCC(CCCC)CCCC
InChI:   InChI=1/C10H22O/c1-3-5-7-10(9-11)8-6-4-2/h10-11H,3-9H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.285 g/mol  logS: -3.21007  SlogP: 2.9753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706093  Sterimol/B1: 2.34169  Sterimol/B2: 2.58748  Sterimol/B3: 3.18669
  Sterimol/B4: 7.20877  Sterimol/L: 13.2909 
 
 Surface and Volume Properties
  Accessible surface: 424.272  Positive charged surface: 340.366  Negative charged surface: 83.9063  Volume: 194.375
  Hydrophobic surface: 328.747  Hydrophilic surface: 95.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.