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NCID-ZINC01632619

 MMsINC code: MMs02277102
Type: Neutral
Formula: C7H16O4
SMILES:   O(CCOCCO)CCOC
InChI:   InChI=1/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.7643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.201 g/mol  logS: 0.18408  SlogP: -0.3417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104098  Sterimol/B1: 2.38353  Sterimol/B2: 2.55458  Sterimol/B3: 4.01998
  Sterimol/B4: 5.62891  Sterimol/L: 12.766 
 
 Surface and Volume Properties
  Accessible surface: 420.916  Positive charged surface: 385.5  Negative charged surface: 35.416  Volume: 170.5
  Hydrophobic surface: 352.177  Hydrophilic surface: 68.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.