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ACROSORGANICS-ZINC02039283

 MMsINC code: MMs00012635
Type: Neutral
Formula: C10H18O4
SMILES:   O(C(=O)CCCCCCC(OC)=O)C
InChI:   InChI=1/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -1.6047  SlogP: 1.673  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0208188  Sterimol/B1: 2.37518  Sterimol/B2: 2.37553  Sterimol/B3: 2.84819
  Sterimol/B4: 3.06371  Sterimol/L: 18.2025 
 
 Surface and Volume Properties
  Accessible surface: 472.84  Positive charged surface: 385.184  Negative charged surface: 87.6557  Volume: 207.875
  Hydrophobic surface: 382.977  Hydrophilic surface: 89.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.