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ASINEX-ZINC04714035

 MMsINC code: MMs00363624
Type: Neutral
Formula: C16H10INO2
SMILES:   Ic1cc(ccc1)\C=C/1\N=C(OC\1=O)c1ccccc1
InChI:   InChI=1/C16H10INO2/c17-13-8-4-5-11(9-13)10-14-16(19)20-15(18-14)12-6-2-1-3-7-12/h1-10H/b14-10-

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Potential Energy
Epot(MMFF94)=80.6182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.165 g/mol  logS: -6.04853  SlogP: 3.6357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0005095  Sterimol/B1: 2.21883  Sterimol/B2: 2.53616  Sterimol/B3: 3.10312
  Sterimol/B4: 7.29807  Sterimol/L: 16.7298 
 
 Surface and Volume Properties
  Accessible surface: 519.897  Positive charged surface: 205.541  Negative charged surface: 314.356  Volume: 272.625
  Hydrophobic surface: 442.098  Hydrophilic surface: 77.799
 
 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.