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ENAMINE-ZINC03463278

 MMsINC code: MMs01458284
Type: Neutral
Formula: C18H30N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCCC(C)C)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C18H30N4O4/c1-13(2)8-11-19-16(25)20-14(23)12-22-15(24)18(21-17(22)26)9-6-4-3-5-7-10-18/h13H,3-12H2,1-2H3,(H,21,26)(H2,19,20,23,25)

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Potential Energy
Epot(MMFF94)=78.7767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.462 g/mol  logS: -4.49659  SlogP: 1.8932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049062  Sterimol/B1: 3.05772  Sterimol/B2: 3.4288  Sterimol/B3: 5.40358
  Sterimol/B4: 5.5714  Sterimol/L: 20.1928 
 
 Surface and Volume Properties
  Accessible surface: 644.87  Positive charged surface: 460.513  Negative charged surface: 184.356  Volume: 350.125
  Hydrophobic surface: 420.301  Hydrophilic surface: 224.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.