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NCID-ZINC01755956

 MMsINC code: MMs02364602
Type: Neutral
Formula: C7H16O2
SMILES:   O(CCCC)CCCO
InChI:   InChI=1/C7H16O2/c1-2-3-6-9-7-4-5-8/h8H,2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.57123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.203 g/mol  logS: -0.77661  SlogP: 1.1855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390773  Sterimol/B1: 2.34333  Sterimol/B2: 2.37532  Sterimol/B3: 2.37534
  Sterimol/B4: 2.99109  Sterimol/L: 14.2781 
 
 Surface and Volume Properties
  Accessible surface: 373.259  Positive charged surface: 308.483  Negative charged surface: 64.7756  Volume: 152.875
  Hydrophobic surface: 292.278  Hydrophilic surface: 80.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.