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ASINEX-ZINC04713654

 MMsINC code: MMs00363151
Type: Neutral
Formula: C16H31N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)N
InChI:   InChI=1/C16H31N3O4/c1-9(2)8-11(13(17)20)18-14(21)12(10(3)4)19-15(22)23-16(5,6)7/h9-12H,8H2,1-7H3,(H2,17,20)(H,18,21)(H,19,22)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=89.8064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.441 g/mol  logS: -3.56286  SlogP: 1.5519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715421  Sterimol/B1: 3.11063  Sterimol/B2: 3.73597  Sterimol/B3: 4.57262
  Sterimol/B4: 6.47769  Sterimol/L: 16.7671 
 
 Surface and Volume Properties
  Accessible surface: 596.91  Positive charged surface: 412.869  Negative charged surface: 184.041  Volume: 334.375
  Hydrophobic surface: 340.603  Hydrophilic surface: 256.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.