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ASINEX-ZINC03010519

 MMsINC code: MMs00283326
Type: Neutral
Formula: C16H29N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N
InChI:   InChI=1/C16H29N3O4/c1-10(2)9-11(18-15(22)23-16(3,4)5)14(21)19-8-6-7-12(19)13(17)20/h10-12H,6-9H2,1-5H3,(H2,17,20)(H,18,22)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=84.1556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.425 g/mol  logS: -3.2785  SlogP: 1.4021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129249  Sterimol/B1: 2.81735  Sterimol/B2: 3.48187  Sterimol/B3: 4.90974
  Sterimol/B4: 7.11429  Sterimol/L: 15.3483 
 
 Surface and Volume Properties
  Accessible surface: 585.82  Positive charged surface: 420.879  Negative charged surface: 164.941  Volume: 326.375
  Hydrophobic surface: 356.616  Hydrophilic surface: 229.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.