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CHEMDIV-ZINC02493855

 MMsINC code: MMs00881480
Type: Neutral
Formula: C24H25F2N3O2S
SMILES:   S(CC(=O)N1CCCCC1)c1c2c(n(c1)CCNC(=O)c1c(F)cccc1F)cccc2
InChI:   InChI=1/C24H25F2N3O2S/c25-18-8-6-9-19(26)23(18)24(31)27-11-14-29-15-21(17-7-2-3-10-20(17)29)32-16-22(30)28-12-4-1-5-13-28/h2-3,6-10,15H,1,4-5,11-14,16H2,(H,27,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.5777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.545 g/mol  logS: -5.94135  SlogP: 4.7205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252916  Sterimol/B1: 2.54035  Sterimol/B2: 3.36258  Sterimol/B3: 3.74646
  Sterimol/B4: 12.4262  Sterimol/L: 20.4863 
 
 Surface and Volume Properties
  Accessible surface: 759.152  Positive charged surface: 445.022  Negative charged surface: 308.287  Volume: 419.75
  Hydrophobic surface: 645.609  Hydrophilic surface: 113.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.