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ENAMINE-ZINC05443552

 MMsINC code: MMs01613234
Type: Neutral
Formula: C11H10INO3
SMILES:   Ic1cc(NC(=O)C=2OCCOC=2)ccc1
InChI:   InChI=1/C11H10INO3/c12-8-2-1-3-9(6-8)13-11(14)10-7-15-4-5-16-10/h1-3,6-7H,4-5H2,(H,13,14)

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Potential Energy
Epot(MMFF94)=69.5578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.109 g/mol  logS: -3.10717  SlogP: 2.1179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0206483  Sterimol/B1: 2.49845  Sterimol/B2: 2.68747  Sterimol/B3: 2.91358
  Sterimol/B4: 6.63361  Sterimol/L: 14.1009 
 
 Surface and Volume Properties
  Accessible surface: 453.177  Positive charged surface: 225.558  Negative charged surface: 227.619  Volume: 224
  Hydrophobic surface: 390.905  Hydrophilic surface: 62.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.