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NANOSIN-ZINC04588738

 MMsINC code: MMs02207984
Type: Neutral
Formula: C22H14FNO2
SMILES:   Fc1ccc(cc1)\C=C/1\N=C(OC\1=O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C22H14FNO2/c23-19-12-6-15(7-13-19)14-20-22(25)26-21(24-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14H/b20-14-

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Potential Energy
Epot(MMFF94)=114.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.357 g/mol  logS: -7.77837  SlogP: 4.8372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000259752  Sterimol/B1: 2.18772  Sterimol/B2: 2.20919  Sterimol/B3: 4.23709
  Sterimol/B4: 7.24243  Sterimol/L: 18.4372 
 
 Surface and Volume Properties
  Accessible surface: 589.154  Positive charged surface: 262.4  Negative charged surface: 315.683  Volume: 323.125
  Hydrophobic surface: 511.193  Hydrophilic surface: 77.961
 
 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.