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ACROSORGANICS-ZINC02583393

 MMsINC code: MMs00014810
Type: Neutral
Formula: C14H27N3O3
SMILES:   O(C(C)(C)C)C(=O)N1CC(NCC1)C(=O)NC(C)(C)C
InChI:   InChI=1/C14H27N3O3/c1-13(2,3)16-11(18)10-9-17(8-7-15-10)12(19)20-14(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=72.7311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.388 g/mol  logS: -1.78555  SlogP: 1.11  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0730954  Sterimol/B1: 2.12825  Sterimol/B2: 3.63353  Sterimol/B3: 5.06385
  Sterimol/B4: 6.17026  Sterimol/L: 15.9865 
 
 Surface and Volume Properties
  Accessible surface: 556.238  Positive charged surface: 417.85  Negative charged surface: 138.387  Volume: 293.75
  Hydrophobic surface: 386.679  Hydrophilic surface: 169.559
 
 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.