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NCID-ZINC01696859

 MMsINC code: MMs02327557
Type: Neutral
Formula: C11H20O4
SMILES:   O(C(=O)C1CCCCC1)CCOCCO
InChI:   InChI=1/C11H20O4/c12-6-7-14-8-9-15-11(13)10-4-2-1-3-5-10/h10,12H,1-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.7928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -1.79333  SlogP: 1.1188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.095338  Sterimol/B1: 2.98365  Sterimol/B2: 3.2009  Sterimol/B3: 3.9863
  Sterimol/B4: 4.93117  Sterimol/L: 14.132 
 
 Surface and Volume Properties
  Accessible surface: 477.745  Positive charged surface: 395.725  Negative charged surface: 82.02  Volume: 220.875
  Hydrophobic surface: 391.021  Hydrophilic surface: 86.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.