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ENAMINE-ZINC03444329

 MMsINC code: MMs01446286
Type: Neutral
Formula: C14H23N3O4
SMILES:   O=C1N(CC(=O)NC(COC)C)C(=O)NC12CCCCC2
InChI:   InChI=1/C14H23N3O4/c1-10(9-21-2)15-11(18)8-17-12(19)14(16-13(17)20)6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,15,18)(H,16,20)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=23.3885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -2.14805  SlogP: 0.3922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531674  Sterimol/B1: 2.29793  Sterimol/B2: 3.09738  Sterimol/B3: 4.43186
  Sterimol/B4: 5.58054  Sterimol/L: 17.2987 
 
 Surface and Volume Properties
  Accessible surface: 548.31  Positive charged surface: 416.975  Negative charged surface: 131.335  Volume: 283.25
  Hydrophobic surface: 405.122  Hydrophilic surface: 143.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.