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ENAMINE-ZINC03395885

 MMsINC code: MMs01416924
Type: Neutral
Formula: C16H17N3O5
SMILES:   O(C)c1cc(ccc1OC)CNC(=O)COC(=O)c1nccnc1
InChI:   InChI=1/C16H17N3O5/c1-22-13-4-3-11(7-14(13)23-2)8-19-15(20)10-24-16(21)12-9-17-5-6-18-12/h3-7,9H,8,10H2,1-2H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=111.904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.328 g/mol  logS: -1.44448  SlogP: 1.2334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0459521  Sterimol/B1: 2.15482  Sterimol/B2: 3.30201  Sterimol/B3: 4.35696
  Sterimol/B4: 7.30178  Sterimol/L: 20.409 
 
 Surface and Volume Properties
  Accessible surface: 613.31  Positive charged surface: 475.87  Negative charged surface: 137.44  Volume: 302.625
  Hydrophobic surface: 460.57  Hydrophilic surface: 152.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.