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BACHEM-ZINC02560754

 MMsINC code: MMs00483875
Type: Neutral
Formula: C15H30N2O4
SMILES:   O(C(C)(C)C)C(=O)C(N)CCCCNC(OC(C)(C)C)=O
InChI:   InChI=1/C15H30N2O4/c1-14(2,3)20-12(18)11(16)9-7-8-10-17-13(19)21-15(4,5)6/h11H,7-10,16H2,1-6H3,(H,17,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=55.5204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.415 g/mol  logS: -2.50803  SlogP: 2.3504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353008  Sterimol/B1: 2.07329  Sterimol/B2: 3.09593  Sterimol/B3: 4.83507
  Sterimol/B4: 5.87159  Sterimol/L: 19.7493 
 
 Surface and Volume Properties
  Accessible surface: 626.326  Positive charged surface: 460.451  Negative charged surface: 165.875  Volume: 316.875
  Hydrophobic surface: 400.232  Hydrophilic surface: 226.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.