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NCID-ZINC01729705

 MMsINC code: MMs02352865
Type: Neutral
Formula: C10H18O4
SMILES:   O(C(=O)COC(=O)CCC)CCCC
InChI:   InChI=1/C10H18O4/c1-3-5-7-13-10(12)8-14-9(11)6-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.0769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -2.17543  SlogP: 1.673  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0172825  Sterimol/B1: 2.37534  Sterimol/B2: 2.37545  Sterimol/B3: 3.04945
  Sterimol/B4: 3.43205  Sterimol/L: 18.2211 
 
 Surface and Volume Properties
  Accessible surface: 478.191  Positive charged surface: 354.985  Negative charged surface: 123.206  Volume: 209.25
  Hydrophobic surface: 349.363  Hydrophilic surface: 128.828
 
 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.