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ENAMINE-ZINC03355668

 MMsINC code: MMs01392510
Type: Neutral
Formula: C16H15N3O6
SMILES:   O=C1N(C)C(=O)N(C)C(N)=C1C(=O)COC(=O)c1ccc(cc1)C=O
InChI:   InChI=1/C16H15N3O6/c1-18-13(17)12(14(22)19(2)16(18)24)11(21)8-25-15(23)10-5-3-9(7-20)4-6-10/h3-7H,8,17H2,1-2H3

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Potential Energy
Epot(MMFF94)=48.1246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.311 g/mol  logS: -2.77031  SlogP: -0.0809  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00578679  Sterimol/B1: 2.52426  Sterimol/B2: 2.55224  Sterimol/B3: 2.67806
  Sterimol/B4: 6.91174  Sterimol/L: 18.1201 
 
 Surface and Volume Properties
  Accessible surface: 572.145  Positive charged surface: 387.031  Negative charged surface: 185.114  Volume: 298.5
  Hydrophobic surface: 335.065  Hydrophilic surface: 237.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.