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ASINEX-ZINC05003750

 MMsINC code: MMs00433248
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-/m0/s1

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Potential Energy
Epot(MMFF94)=40.0506 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: 0.0377755  Sterimol/B1: 2.81434  Sterimol/B2: 2.83277  Sterimol/B3: 3.19406
  Sterimol/B4: 11.9708  Sterimol/L: 18.3282 
 
 Surface and Volume Properties
  Accessible surface: 705.218  Positive charged surface: 560.812  Negative charged surface: 144.406  Volume: 364.75
  Hydrophobic surface: 608.903  Hydrophilic surface: 96.315
 
 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


MMs00433249
ASINEX-ZINC05003750