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CHEMDIV-ZINC00126035

 MMsINC code: MMs00834041
Type: Neutral
Formula: C19H14FNS2
SMILES:   S1c2c(N=C(CC1c1ccccc1F)c1sccc1)cccc2
InChI:   InChI=1/C19H14FNS2/c20-14-7-2-1-6-13(14)19-12-16(17-10-5-11-22-17)21-15-8-3-4-9-18(15)23-19/h1-11,19H,12H2/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=103.389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.458 g/mol  logS: -6.53013  SlogP: 6.3406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721136  Sterimol/B1: 2.31355  Sterimol/B2: 4.64587  Sterimol/B3: 6.80785
  Sterimol/B4: 6.93053  Sterimol/L: 14.1658 
 
 Surface and Volume Properties
  Accessible surface: 548.453  Positive charged surface: 259.605  Negative charged surface: 288.849  Volume: 307.625
  Hydrophobic surface: 523.158  Hydrophilic surface: 25.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.