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NANOSIN-ZINC04588842

 MMsINC code: MMs02207994
Type: Neutral
Formula: C19H14FNO2
SMILES:   Fc1ccccc1C=1OC(=O)/C(/N=1)=C/C(=C\c1ccccc1)/C
InChI:   InChI=1/C19H14FNO2/c1-13(11-14-7-3-2-4-8-14)12-17-19(22)23-18(21-17)15-9-5-6-10-16(15)20/h2-12H,1H3/b13-11+,17-12-

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Potential Energy
Epot(MMFF94)=99.4852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.324 g/mol  logS: -6.50166  SlogP: 4.1165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150392  Sterimol/B1: 2.24357  Sterimol/B2: 3.17681  Sterimol/B3: 4.74423
  Sterimol/B4: 6.16476  Sterimol/L: 16.8434 
 
 Surface and Volume Properties
  Accessible surface: 535.479  Positive charged surface: 287.64  Negative charged surface: 247.839  Volume: 289.375
  Hydrophobic surface: 456.241  Hydrophilic surface: 79.238
 
 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.