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NCID-ZINC01710266

 MMsINC code: MMs02337442
Type: Neutral
Formula: C10H7NO3
SMILES:   Oc1c2nccc(c2ccc1)C(O)=O
InChI:   InChI=1/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.7248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.17 g/mol  logS: -1.58087  SlogP: 1.6386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00586495  Sterimol/B1: 2.11716  Sterimol/B2: 2.16688  Sterimol/B3: 2.52034
  Sterimol/B4: 6.83225  Sterimol/L: 10.9118 
 
 Surface and Volume Properties
  Accessible surface: 358.936  Positive charged surface: 218.089  Negative charged surface: 135.312  Volume: 165.5
  Hydrophobic surface: 203.582  Hydrophilic surface: 155.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02337443
NCID-ZINC01710266