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PUBCHEM-ZINC02154766

 MMsINC code: MMs02877337
Type: Neutral
Formula: C9H7ClINO3
SMILES:   Ic1cc(C(O)=O)c(NC(=O)CCl)cc1
InChI:   InChI=1/C9H7ClINO3/c10-4-8(13)12-7-2-1-5(11)3-6(7)9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.5834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.516 g/mol  logS: -3.31317  SlogP: 2.1667  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0203475  Sterimol/B1: 2.46624  Sterimol/B2: 2.55542  Sterimol/B3: 2.73127
  Sterimol/B4: 7.28646  Sterimol/L: 13.8227 
 
 Surface and Volume Properties
  Accessible surface: 436.538  Positive charged surface: 171.465  Negative charged surface: 265.073  Volume: 211
  Hydrophobic surface: 244.289  Hydrophilic surface: 192.249
 
 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


MMs02877338
PUBCHEM-ZINC02154766