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PUBCHEM-ZINC05687174

 MMsINC code: MMs03348504
Type: Neutral
Formula: C11H8ClNO3
SMILES:   Clc1cc(c2NC=C(C(O)=O)C(=O)c2c1)C
InChI:   InChI=1/C11H8ClNO3/c1-5-2-6(12)3-7-9(5)13-4-8(10(7)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.6784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.642 g/mol  logS: -2.80785  SlogP: 2.22512  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00924157  Sterimol/B1: 2.10188  Sterimol/B2: 2.214  Sterimol/B3: 2.51202
  Sterimol/B4: 7.22999  Sterimol/L: 11.9594 
 
 Surface and Volume Properties
  Accessible surface: 405.273  Positive charged surface: 191.521  Negative charged surface: 213.751  Volume: 199.125
  Hydrophobic surface: 264.348  Hydrophilic surface: 140.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03348505
PUBCHEM-ZINC05687174