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PUBCHEM-ZINC00988154

 MMsINC code: MMs02750543
Type: Ionized
Formula: C16H10NO5-
SMILES:   o1c2c(nc1-c1ccccc1C(OC)=O)cc(cc2)C(=O)[O-]
InChI:   InChI=1/C16H11NO5/c1-21-16(20)11-5-3-2-4-10(11)14-17-12-8-9(15(18)19)6-7-13(12)22-14/h2-8H,1H3,(H,18,19)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.6454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.258 g/mol  logS: -5.31213  SlogP: 1.6449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645704  Sterimol/B1: 2.24746  Sterimol/B2: 2.35169  Sterimol/B3: 4.59
  Sterimol/B4: 7.77124  Sterimol/L: 15.434 
 
 Surface and Volume Properties
  Accessible surface: 501.235  Positive charged surface: 259.928  Negative charged surface: 241.307  Volume: 259.125
  Hydrophobic surface: 344.364  Hydrophilic surface: 156.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02750542
PUBCHEM-ZINC00988154