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ASINEX-ZINC05003751

 MMsINC code: MMs00433250
Type: Neutral
Formula: C19H35NO4
SMILES:   O(C(=O)C(N1CCCCC1)CC(OCCCCC)=O)CCCCC
InChI:   InChI=1/C19H35NO4/c1-3-5-10-14-23-18(21)16-17(20-12-8-7-9-13-20)19(22)24-15-11-6-4-2/h17H,3-16H2,1-2H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=49.893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.492 g/mol  logS: -4.05968  SlogP: 3.6978  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0361175  Sterimol/B1: 2.94241  Sterimol/B2: 3.38252  Sterimol/B3: 3.81005
  Sterimol/B4: 9.71435  Sterimol/L: 21.4927 
 
 Surface and Volume Properties
  Accessible surface: 711.565  Positive charged surface: 566.149  Negative charged surface: 145.416  Volume: 366.75
  Hydrophobic surface: 617.338  Hydrophilic surface: 94.227
 
 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


MMs00433251
ASINEX-ZINC05003751