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PUBCHEM-ZINC04725747

 MMsINC code: MMs03163568
Type: Neutral
Formula: C17H30N2O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(OC)=O
InChI:   InChI=1/C17H30N2O5/c1-11(2)10-12(15(21)23-6)18-14(20)13-8-7-9-19(13)16(22)24-17(3,4)5/h11-13H,7-10H2,1-6H3,(H,18,20)/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=80.9154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.436 g/mol  logS: -3.40811  SlogP: 2.0898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196646  Sterimol/B1: 2.12527  Sterimol/B2: 5.38266  Sterimol/B3: 5.9087
  Sterimol/B4: 6.78831  Sterimol/L: 15.3562 
 
 Surface and Volume Properties
  Accessible surface: 632.421  Positive charged surface: 484.201  Negative charged surface: 148.22  Volume: 341.875
  Hydrophobic surface: 480.44  Hydrophilic surface: 151.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.