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NCID-ZINC01676854

 MMsINC code: MMs02311966
Type: Neutral
Formula: C11H20O4
SMILES:   O(C(OC(=O)C)CCCCCC)C(=O)C
InChI:   InChI=1/C11H20O4/c1-4-5-6-7-8-11(14-9(2)12)15-10(3)13/h11H,4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.7574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -2.89219  SlogP: 2.4091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593451  Sterimol/B1: 2.81625  Sterimol/B2: 3.60145  Sterimol/B3: 5.07094
  Sterimol/B4: 5.18593  Sterimol/L: 14.7579 
 
 Surface and Volume Properties
  Accessible surface: 492.543  Positive charged surface: 344.896  Negative charged surface: 147.647  Volume: 226.125
  Hydrophobic surface: 400.1  Hydrophilic surface: 92.443
 
 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.