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ASINEX-ZINC04613785

 MMsINC code: MMs00356244
Type: Neutral
Formula: C19H39N3O3
SMILES:   O(CCCCCCCCCCC(=O)NCCN1CCNCC1)CCO
InChI:   InChI=1/C19H39N3O3/c23-16-18-25-17-8-6-4-2-1-3-5-7-9-19(24)21-12-15-22-13-10-20-11-14-22/h20,23H,1-18H2,(H,21,24)

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Potential Energy
Epot(MMFF94)=57.97 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.539 g/mol  logS: -2.58021  SlogP: 1.5276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00907618  Sterimol/B1: 2.52087  Sterimol/B2: 3.08998  Sterimol/B3: 3.72259
  Sterimol/B4: 4.41422  Sterimol/L: 28.1006 
 
 Surface and Volume Properties
  Accessible surface: 771.03  Positive charged surface: 684.706  Negative charged surface: 86.3241  Volume: 392.125
  Hydrophobic surface: 632.329  Hydrophilic surface: 138.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs00356245
ASINEX-ZINC04613785