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ENAMINE-ZINC03348240

 MMsINC code: MMs01387745
Type: Neutral
Formula: C16H27N3O4
SMILES:   O(C(=O)C1CCN(CC1)CC(=O)NC(=O)NC1CCCCC1)C
InChI:   InChI=1/C16H27N3O4/c1-23-15(21)12-7-9-19(10-8-12)11-14(20)18-16(22)17-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H2,17,18,20,22)

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Potential Energy
Epot(MMFF94)=31.9448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.409 g/mol  logS: -2.0777  SlogP: 1.0299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358722  Sterimol/B1: 2.21566  Sterimol/B2: 3.438  Sterimol/B3: 3.92074
  Sterimol/B4: 6.44398  Sterimol/L: 20.0535 
 
 Surface and Volume Properties
  Accessible surface: 611.404  Positive charged surface: 499.133  Negative charged surface: 112.271  Volume: 317
  Hydrophobic surface: 486.389  Hydrophilic surface: 125.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01387746
ENAMINE-ZINC03348240