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ACROSORGANICS-ZINC04284369

 MMsINC code: MMs00018031
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-/m1/s1

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Potential Energy
Epot(MMFF94)=66.5115 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: 0.204943  Sterimol/B1: 3.26359  Sterimol/B2: 3.53656  Sterimol/B3: 5.8914
  Sterimol/B4: 7.16614  Sterimol/L: 14.4765 
 
 Surface and Volume Properties
  Accessible surface: 577.293  Positive charged surface: 341.146  Negative charged surface: 236.147  Volume: 355.125
  Hydrophobic surface: 464.168  Hydrophilic surface: 113.125
 
 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.