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ENAMINE-ZINC05523567

 MMsINC code: MMs01619834
Type: Neutral
Formula: C24H22NOPS
SMILES:   S1C(=CP(=O)(NCCc2ccccc2)C=C1c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H22NOPS/c26-27(25-17-16-20-10-4-1-5-11-20)18-23(21-12-6-2-7-13-21)28-24(19-27)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2,(H,25,26)

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Potential Energy
Epot(MMFF94)=71.6622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.486 g/mol  logS: -5.38597  SlogP: 5.77057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0856765  Sterimol/B1: 3.94197  Sterimol/B2: 4.00653  Sterimol/B3: 4.52914
  Sterimol/B4: 8.94589  Sterimol/L: 18.8689 
 
 Surface and Volume Properties
  Accessible surface: 696.752  Positive charged surface: 368.906  Negative charged surface: 327.845  Volume: 394.625
  Hydrophobic surface: 613.362  Hydrophilic surface: 83.39
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.