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IBS-ZINC04809041

 MMsINC code: MMs01894938
Type: Neutral
Formula: C13H10N2O5
SMILES:   O=C\1N(C)C(=O)NC(=O)/C/1=C\c1ccc(cc1)C(O)=O
InChI:   InChI=1/C13H10N2O5/c1-15-11(17)9(10(16)14-13(15)20)6-7-2-4-8(5-3-7)12(18)19/h2-6H,1H3,(H,18,19)(H,14,16,20)/b9-6-

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Potential Energy
Epot(MMFF94)=22.4692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.232 g/mol  logS: -2.67451  SlogP: 0.4764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551167  Sterimol/B1: 2.07752  Sterimol/B2: 2.27276  Sterimol/B3: 3.64325
  Sterimol/B4: 7.04278  Sterimol/L: 13.9381 
 
 Surface and Volume Properties
  Accessible surface: 458.647  Positive charged surface: 279.848  Negative charged surface: 178.799  Volume: 234
  Hydrophobic surface: 228.078  Hydrophilic surface: 230.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01894939
IBS-ZINC04809041