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ENAMINE-ZINC02628271

 MMsINC code: MMs01260405
Type: Neutral
Formula: C20H19NOS
SMILES:   S(CC(=O)NC(C)c1ccccc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C20H19NOS/c1-15(16-7-3-2-4-8-16)21-20(22)14-23-19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,21,22)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=74.8362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.444 g/mol  logS: -6.55184  SlogP: 4.9048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0278954  Sterimol/B1: 2.27454  Sterimol/B2: 2.28369  Sterimol/B3: 4.9757
  Sterimol/B4: 6.33555  Sterimol/L: 19.1312 
 
 Surface and Volume Properties
  Accessible surface: 606.294  Positive charged surface: 319.644  Negative charged surface: 274.741  Volume: 321.75
  Hydrophobic surface: 516.555  Hydrophilic surface: 89.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.