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NCID-ZINC05950397

 MMsINC code: MMs02512728
Type: Neutral
Formula: C15H26N2O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCCC1C(=O)NCCC(OC)=O
InChI:   InChI=1/C15H26N2O5/c1-15(2,3)22-14(20)17-10-6-5-7-11(17)13(19)16-9-8-12(18)21-4/h11H,5-10H2,1-4H3,(H,16,19)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=66.0518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.382 g/mol  logS: -1.93238  SlogP: 1.4553  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0743423  Sterimol/B1: 2.21693  Sterimol/B2: 3.20446  Sterimol/B3: 4.92361
  Sterimol/B4: 8.69139  Sterimol/L: 15.8215 
 
 Surface and Volume Properties
  Accessible surface: 593.018  Positive charged surface: 462.205  Negative charged surface: 130.813  Volume: 308.25
  Hydrophobic surface: 461.402  Hydrophilic surface: 131.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.