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PUBCHEM-ZINC06613415

 MMsINC code: MMs03818465
Type: Neutral
Formula: C19H30N2O5
SMILES:   O1CCNC(=O)C(C\C=C/CCCC1=O)CC(=O)NC1(CCCC1)CO
InChI:   InChI=1/C19H30N2O5/c22-14-19(9-5-6-10-19)21-16(23)13-15-7-3-1-2-4-8-17(24)26-12-11-20-18(15)25/h1,3,15,22H,2,4-14H2,(H,20,25)(H,21,23)/b3-1-/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=84.1783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.458 g/mol  logS: -1.55127  SlogP: 1.2036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173585  Sterimol/B1: 2.52848  Sterimol/B2: 4.00988  Sterimol/B3: 6.17527
  Sterimol/B4: 6.51508  Sterimol/L: 14.3755 
 
 Surface and Volume Properties
  Accessible surface: 580.083  Positive charged surface: 430.198  Negative charged surface: 149.885  Volume: 356.5
  Hydrophobic surface: 445.286  Hydrophilic surface: 134.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.