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ASINEX-ZINC04610719

 MMsINC code: MMs00355594
Type: Neutral
Formula: C19H35NO4
SMILES:   O1CCOCC1CCCCCCCCCCC(=O)N1CCOCC1
InChI:   InChI=1/C19H35NO4/c21-19(20-11-13-22-14-12-20)10-8-6-4-2-1-3-5-7-9-18-17-23-15-16-24-18/h18H,1-17H2/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=62.3374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.492 g/mol  logS: -3.96127  SlogP: 3.1616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.015674  Sterimol/B1: 2.44807  Sterimol/B2: 2.72474  Sterimol/B3: 3.9416
  Sterimol/B4: 5.02604  Sterimol/L: 24.5031 
 
 Surface and Volume Properties
  Accessible surface: 700.136  Positive charged surface: 612.857  Negative charged surface: 87.2791  Volume: 363.25
  Hydrophobic surface: 636.879  Hydrophilic surface: 63.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.