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PUBCHEM-ZINC06856858

 MMsINC code: MMs03877103
Type: Neutral
Formula: C11H10INO3
SMILES:   Ic1ccccc1\C=C(/NC(=O)C)\C(O)=O
InChI:   InChI=1/C11H10INO3/c1-7(14)13-10(11(15)16)6-8-4-2-3-5-9(8)12/h2-6H,1H3,(H,13,14)(H,15,16)/b10-6+

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Potential Energy
Epot(MMFF94)=68.919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.109 g/mol  logS: -3.0971  SlogP: 1.8528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582893  Sterimol/B1: 2.65148  Sterimol/B2: 3.59364  Sterimol/B3: 4.06246
  Sterimol/B4: 5.44994  Sterimol/L: 13.4377 
 
 Surface and Volume Properties
  Accessible surface: 448.923  Positive charged surface: 204.885  Negative charged surface: 244.038  Volume: 223.75
  Hydrophobic surface: 334.462  Hydrophilic surface: 114.461
 
 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


MMs03877104
PUBCHEM-ZINC06856858