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IBS-ZINC05307426

 MMsINC code: MMs01937879
Type: Neutral
Formula: C11H10N2O3
SMILES:   OC(=O)CNC(=O)c1cc2c([nH]cc2)cc1
InChI:   InChI=1/C11H10N2O3/c14-10(15)6-13-11(16)8-1-2-9-7(5-8)3-4-12-9/h1-5,12H,6H2,(H,13,16)(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.6947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -1.81675  SlogP: 0.9823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00493972  Sterimol/B1: 2.37401  Sterimol/B2: 2.37609  Sterimol/B3: 3.11307
  Sterimol/B4: 4.92764  Sterimol/L: 15.1939 
 
 Surface and Volume Properties
  Accessible surface: 422.024  Positive charged surface: 231.506  Negative charged surface: 184.431  Volume: 196.25
  Hydrophobic surface: 219.186  Hydrophilic surface: 202.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs01937880
IBS-ZINC05307426