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ENAMINE-ZINC03550711

 MMsINC code: MMs01503359
Type: Neutral
Formula: C16H18N4O4
SMILES:   O(C(=O)c1c(n(nc1C)-c1ccccc1)C)CC(=O)NC(=O)NC
InChI:   InChI=1/C16H18N4O4/c1-10-14(15(22)24-9-13(21)18-16(23)17-3)11(2)20(19-10)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H2,17,18,21,23)

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Potential Energy
Epot(MMFF94)=65.3373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.344 g/mol  logS: -2.9484  SlogP: 1.10154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644178  Sterimol/B1: 2.27644  Sterimol/B2: 3.83845  Sterimol/B3: 4.36937
  Sterimol/B4: 7.2342  Sterimol/L: 19.6636 
 
 Surface and Volume Properties
  Accessible surface: 614.426  Positive charged surface: 386.904  Negative charged surface: 227.522  Volume: 308.5
  Hydrophobic surface: 448.156  Hydrophilic surface: 166.27
 
 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: no related molecules available.