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ENAMINE-ZINC03207250

 MMsINC code: MMs01306430
Type: Neutral
Formula: C23H18ClF3N4O3S
SMILES:   Clc1cc(cnc1N\1Cc2c(cccc2)/C/1=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc
1)C(F)(F)F
InChI:   InChI=1/C23H18ClF3N4O3S/c1-30(2)35(33,34)17-9-7-14(8-10-17)22(32)29-20-18-6-4-3-5-15(18)13-31(20)21-19(24)11-16(12-28-21)23(25,26)27/h3-12H,13H2,1-2H3/b29-20+

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Potential Energy
Epot(MMFF94)=138.088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 522.935 g/mol  logS: -6.37878  SlogP: 5.1892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0831458  Sterimol/B1: 2.06361  Sterimol/B2: 5.44617  Sterimol/B3: 6.52768
  Sterimol/B4: 9.01941  Sterimol/L: 17.2584 
 
 Surface and Volume Properties
  Accessible surface: 727.921  Positive charged surface: 373.916  Negative charged surface: 354.005  Volume: 421
  Hydrophobic surface: 523.183  Hydrophilic surface: 204.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.