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NCID-ZINC01764029

MMsINC code: MMs02368793

Type: Neutral
Formula: C15H10Cl2INO4
SMILES:   Ic1cc(C(O)=O)c(NC(=O)COc2ccc(Cl)cc2Cl)cc1
InChI:   InChI=1/C15H10Cl2INO4/c16-8-1-4-13(11(17)5-8)23-7-14(20)19-12-3-2-9(18)6-10(12)15(21)22/h1-6H,7H2,(H,19,20)(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=83.0982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.058 g/mol  logS: -5.86119  SlogP: 4.3137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151613  Sterimol/B1: 2.44449  Sterimol/B2: 3.36189  Sterimol/B3: 3.94318
  Sterimol/B4: 6.20572  Sterimol/L: 19.2223 
 
 Surface and Volume Properties
  Accessible surface: 598.099  Positive charged surface: 224.314  Negative charged surface: 373.784  Volume: 311.75
  Hydrophobic surface: 472.349  Hydrophilic surface: 125.75
 
 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


MMs02368794
NCID-ZINC01764029