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CHEMBLOCK-ZINC04523838

 MMsINC code: MMs00554899
Type: Neutral
Formula: C23H18N2O2S
SMILES:   S\1\C(=C/c2ccccc2O)\C(=O)N(Cc2ccccc2)/C/1=N/c1ccccc1
InChI:   InChI=1/C23H18N2O2S/c26-20-14-8-7-11-18(20)15-21-22(27)25(16-17-9-3-1-4-10-17)23(28-21)24-19-12-5-2-6-13-19/h1-15,26H,16H2/b21-15+,24-23-

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Potential Energy
Epot(MMFF94)=88.8998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.475 g/mol  logS: -6.30925  SlogP: 5.4628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131548  Sterimol/B1: 2.27956  Sterimol/B2: 2.96531  Sterimol/B3: 5.31082
  Sterimol/B4: 9.48232  Sterimol/L: 16.4239 
 
 Surface and Volume Properties
  Accessible surface: 641.609  Positive charged surface: 366.04  Negative charged surface: 275.569  Volume: 367.625
  Hydrophobic surface: 546.91  Hydrophilic surface: 94.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.