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NCID-ZINC01711246

 MMsINC code: MMs02338317
Type: Neutral
Formula: C10H20O4
SMILES:   O(C(=O)CCOCC)CCC(OC)C
InChI:   InChI=1/C10H20O4/c1-4-13-7-6-10(11)14-8-5-9(2)12-3/h9H,4-8H2,1-3H3/t9-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.7578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.266 g/mol  logS: -1.0221  SlogP: 1.3812  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0228519  Sterimol/B1: 2.52586  Sterimol/B2: 2.8576  Sterimol/B3: 3.3391
  Sterimol/B4: 4.37745  Sterimol/L: 16.9318 
 
 Surface and Volume Properties
  Accessible surface: 490.498  Positive charged surface: 394.639  Negative charged surface: 95.8587  Volume: 218
  Hydrophobic surface: 393.134  Hydrophilic surface: 97.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.