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ACROSORGANICS-ZINC00388297

 MMsINC code: MMs00006947
Type: Neutral
Formula: C7H16O3
SMILES:   O(C(OCC)COC)CC
InChI:   InChI=1/C7H16O3/c1-4-9-7(6-8-3)10-5-2/h7H,4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.1641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.202 g/mol  logS: -0.55361  SlogP: 1.0319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147759  Sterimol/B1: 2.31425  Sterimol/B2: 2.59785  Sterimol/B3: 3.73988
  Sterimol/B4: 7.81766  Sterimol/L: 10.1549 
 
 Surface and Volume Properties
  Accessible surface: 393.22  Positive charged surface: 327.535  Negative charged surface: 65.6856  Volume: 161.875
  Hydrophobic surface: 326.598  Hydrophilic surface: 66.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.