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NCID-ZINC05496421

 MMsINC code: MMs02467818
Type: Neutral
Formula: C19H36N2O5
SMILES:   O(C(C)(C)C)C(=O)C(NC(=O)C(NC(OCC)=O)CC(C)C)CC(C)C
InChI:   InChI=1/C19H36N2O5/c1-9-25-18(24)21-14(10-12(2)3)16(22)20-15(11-13(4)5)17(23)26-19(6,7)8/h12-15H,9-11H2,1-8H3,(H,20,22)(H,21,24)/t14-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=79.8685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.506 g/mol  logS: -4.84835  SlogP: 3.0198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222783  Sterimol/B1: 3.14315  Sterimol/B2: 3.29104  Sterimol/B3: 7.09123
  Sterimol/B4: 7.97237  Sterimol/L: 18.224 
 
 Surface and Volume Properties
  Accessible surface: 696.031  Positive charged surface: 501.335  Negative charged surface: 194.696  Volume: 387.375
  Hydrophobic surface: 466.508  Hydrophilic surface: 229.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.