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CHEMBLOCK-ZINC04783813

 MMsINC code: MMs00579500
Type: Neutral
Formula: C19H26N2OS
SMILES:   S(CCNC(=O)Nc1ccccc1)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C19H26N2OS/c22-18(21-17-4-2-1-3-5-17)20-6-7-23-19-11-14-8-15(12-19)10-16(9-14)13-19/h1-5,14-16H,6-13H2,(H2,20,21,22)/t14-,15+,16-,19-

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Potential Energy
Epot(MMFF94)=54.8269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.496 g/mol  logS: -5.24655  SlogP: 4.5101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417141  Sterimol/B1: 3.72259  Sterimol/B2: 3.72357  Sterimol/B3: 4.05813
  Sterimol/B4: 4.14883  Sterimol/L: 19.037 
 
 Surface and Volume Properties
  Accessible surface: 590.056  Positive charged surface: 419.525  Negative charged surface: 170.531  Volume: 326.5
  Hydrophobic surface: 497.756  Hydrophilic surface: 92.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.