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NCID-ZINC01688197

 MMsINC code: MMs02320797
Type: Neutral
Formula: C11H20O3
SMILES:   O(C(=O)CC(=O)CCCCCC)CC
InChI:   InChI=1/C11H20O3/c1-3-5-6-7-8-10(12)9-11(13)14-4-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.1493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.278 g/mol  logS: -2.8092  SlogP: 2.4791  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0198629  Sterimol/B1: 2.37536  Sterimol/B2: 2.37595  Sterimol/B3: 2.43158
  Sterimol/B4: 3.5907  Sterimol/L: 18.2814 
 
 Surface and Volume Properties
  Accessible surface: 481.886  Positive charged surface: 368.059  Negative charged surface: 113.828  Volume: 218
  Hydrophobic surface: 370.731  Hydrophilic surface: 111.155
 
 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.