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CHEMDIV-ZINC04765653

 MMsINC code: MMs00950853
Type: Neutral
Formula: C25H22FN3O3S
SMILES:   S(=O)(=O)(CC(=O)Nc1ccc(F)cc1)c1nc(cn1-c1ccc(cc1)C)-c1ccc(cc1
)C
InChI:   InChI=1/C25H22FN3O3S/c1-17-3-7-19(8-4-17)23-15-29(22-13-5-18(2)6-14-22)25(28-23)33(31,32)16-24(30)27-21-11-9-20(26)10-12-21/h3-15H,16H2,1-2H3,(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.533 g/mol  logS: -8.08383  SlogP: 4.70764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.034279  Sterimol/B1: 2.82355  Sterimol/B2: 3.26232  Sterimol/B3: 4.46456
  Sterimol/B4: 10.6744  Sterimol/L: 21.0058 
 
 Surface and Volume Properties
  Accessible surface: 753.219  Positive charged surface: 402.355  Negative charged surface: 350.863  Volume: 422.75
  Hydrophobic surface: 647.893  Hydrophilic surface: 105.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.