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ACROSORGANICS-ZINC04204432

 MMsINC code: MMs00016701
Type: Neutral
Formula: C21H22N2O2S
SMILES:   S(=O)(=O)(NC(C(N)c1ccccc1)c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m0/s1

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Potential Energy
Epot(MMFF94)=67.6528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.485 g/mol  logS: -4.92394  SlogP: 3.90562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166454  Sterimol/B1: 3.67052  Sterimol/B2: 5.02468  Sterimol/B3: 5.03929
  Sterimol/B4: 6.71643  Sterimol/L: 14.7806 
 
 Surface and Volume Properties
  Accessible surface: 597.797  Positive charged surface: 337.487  Negative charged surface: 260.31  Volume: 354.625
  Hydrophobic surface: 493.177  Hydrophilic surface: 104.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.