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ASINEX-ZINC04611625

 MMsINC code: MMs00356128
Type: Neutral
Formula: C14H27N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(CC)C)C(=O)NC(C(=O)N)C
InChI:   InChI=1/C14H27N3O4/c1-7-8(2)10(12(19)16-9(3)11(15)18)17-13(20)21-14(4,5)6/h8-10H,7H2,1-6H3,(H2,15,18)(H,16,19)(H,17,20)/t8-,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=63.4677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.387 g/mol  logS: -2.84587  SlogP: 0.9158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0876209  Sterimol/B1: 2.31092  Sterimol/B2: 2.92555  Sterimol/B3: 5.20801
  Sterimol/B4: 6.4057  Sterimol/L: 16.4193 
 
 Surface and Volume Properties
  Accessible surface: 556.068  Positive charged surface: 382.555  Negative charged surface: 173.513  Volume: 299.625
  Hydrophobic surface: 304.296  Hydrophilic surface: 251.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.