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AURORAFEINCHEMIE-ZINC03878139

 MMsINC code: MMs00457516
Type: Neutral
Formula: C19H24N2OS
SMILES:   S=C(Nc1ccccc1C)NC(=O)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C19H24N2OS/c1-12-4-2-3-5-16(12)20-18(23)21-17(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H2,20,21,22,23)/t13-,14+,15-,19-

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Potential Energy
Epot(MMFF94)=117.981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.48 g/mol  logS: -6.6088  SlogP: 4.02442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651187  Sterimol/B1: 1.98164  Sterimol/B2: 3.6015  Sterimol/B3: 4.23864
  Sterimol/B4: 6.67075  Sterimol/L: 16.3656 
 
 Surface and Volume Properties
  Accessible surface: 559.377  Positive charged surface: 372.652  Negative charged surface: 186.725  Volume: 318.75
  Hydrophobic surface: 475.491  Hydrophilic surface: 83.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.