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CHEMDIV-ZINC05036475

 MMsINC code: MMs00982199
Type: Neutral
Formula: C16H16N2OS
SMILES:   s1c2cc(n(c2cc1)CC)C(=O)NCc1ccccc1
InChI:   InChI=1/C16H16N2OS/c1-2-18-13-8-9-20-15(13)10-14(18)16(19)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=25.3389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.383 g/mol  logS: -3.5855  SlogP: 4.1855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0630985  Sterimol/B1: 2.4795  Sterimol/B2: 3.01025  Sterimol/B3: 4.35447
  Sterimol/B4: 7.89933  Sterimol/L: 15.6994 
 
 Surface and Volume Properties
  Accessible surface: 535.699  Positive charged surface: 292.744  Negative charged surface: 242.956  Volume: 275.875
  Hydrophobic surface: 470.412  Hydrophilic surface: 65.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.