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CHEMBLOCK-ZINC01434581

 MMsINC code: MMs00524943
Type: Neutral
Formula: C18H10INO2
SMILES:   Ic1ccc(N2C(=O)c3c(cc4c(c3)cccc4)C2=O)cc1
InChI:   InChI=1/C18H10INO2/c19-13-5-7-14(8-6-13)20-17(21)15-9-11-3-1-2-4-12(11)10-16(15)18(20)22/h1-10H

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Potential Energy
Epot(MMFF94)=84.0247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.187 g/mol  logS: -6.62799  SlogP: 4.245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000372989  Sterimol/B1: 2.33214  Sterimol/B2: 2.38386  Sterimol/B3: 3.30247
  Sterimol/B4: 4.69568  Sterimol/L: 18.0185 
 
 Surface and Volume Properties
  Accessible surface: 531.49  Positive charged surface: 209.496  Negative charged surface: 310.923  Volume: 290.875
  Hydrophobic surface: 461.738  Hydrophilic surface: 69.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.