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ASINEX-ZINC04384259

 MMsINC code: MMs00328862
Type: Ionized
Formula: C12H10NO3-
SMILES:   O(C)c1c2nc(C)c(cc2ccc1)C(=O)[O-]
InChI:   InChI=1/C12H11NO3/c1-7-9(12(14)15)6-8-4-3-5-10(16-2)11(8)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)=60.6424 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: 0.0178183  Sterimol/B1: 2.35987  Sterimol/B2: 2.36369  Sterimol/B3: 2.43455
  Sterimol/B4: 7.01028  Sterimol/L: 12.0003 
 
 Surface and Volume Properties
  Accessible surface: 416.208  Positive charged surface: 249.623  Negative charged surface: 161.274  Volume: 202.125
  Hydrophobic surface: 314.12  Hydrophilic surface: 102.088
 
 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:


MMs00328861
ASINEX-ZINC04384259