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NCID-ZINC04577049

 MMsINC code: MMs02391468
Type: Neutral
Formula: C10H18O4
SMILES:   O1CC1COC(CCOCC1OC1)C
InChI:   InChI=1/C10H18O4/c1-8(12-5-10-7-14-10)2-3-11-4-9-6-13-9/h8-10H,2-7H2,1H3/t8-,9+,10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.2006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -0.98776  SlogP: 0.5958  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0460118  Sterimol/B1: 2.34025  Sterimol/B2: 2.89266  Sterimol/B3: 3.01645
  Sterimol/B4: 7.34264  Sterimol/L: 14.9728 
 
 Surface and Volume Properties
  Accessible surface: 467.754  Positive charged surface: 305.063  Negative charged surface: 162.691  Volume: 210
  Hydrophobic surface: 377.337  Hydrophilic surface: 90.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.