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IBS-ZINC05245553

 MMsINC code: MMs01933847
Type: Neutral
Formula: C19H16N2O5
SMILES:   Oc1ccccc1C1NC(C2C1C(=O)N(C2=O)c1ccccc1)C(O)=O
InChI:   InChI=1/C19H16N2O5/c22-12-9-5-4-8-11(12)15-13-14(16(20-15)19(25)26)18(24)21(17(13)23)10-6-2-1-3-7-10/h1-9,13-16,20,22H,(H,25,26)/t13-,14-,15-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=109.754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.346 g/mol  logS: -2.84766  SlogP: 1.391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187147  Sterimol/B1: 4.02986  Sterimol/B2: 4.42453  Sterimol/B3: 5.20928
  Sterimol/B4: 7.41797  Sterimol/L: 12.7386 
 
 Surface and Volume Properties
  Accessible surface: 541.106  Positive charged surface: 306.04  Negative charged surface: 235.066  Volume: 308.75
  Hydrophobic surface: 363.799  Hydrophilic surface: 177.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs01933848
IBS-ZINC05245553