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CHEMDIV-ZINC00072646

 MMsINC code: MMs00830722
Type: Ionized
Formula: C12H10NO3-
SMILES:   O(C)c1cc2c(nc(cc2C(=O)[O-])C)cc1
InChI:   InChI=1/C12H11NO3/c1-7-5-10(12(14)15)9-6-8(16-2)3-4-11(9)13-7/h3-6H,1-2H3,(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.6224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.216 g/mol  logS: -2.56704  SlogP: 0.91532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178095  Sterimol/B1: 2.49524  Sterimol/B2: 2.55932  Sterimol/B3: 2.95272
  Sterimol/B4: 6.57579  Sterimol/L: 13.081 
 
 Surface and Volume Properties
  Accessible surface: 414.655  Positive charged surface: 241.797  Negative charged surface: 167.688  Volume: 202
  Hydrophobic surface: 305.238  Hydrophilic surface: 109.417
 
 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:


MMs00830721
CHEMDIV-ZINC00072646