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ENAMINE-ZINC03294170

 MMsINC code: MMs01354941
Type: Neutral
Formula: C24H23ClN2O3S
SMILES:   Clc1ccccc1CNC(=O)C1N(S(=O)(=O)c2ccc(cc2)C)Cc2c(C1)cccc2
InChI:   InChI=1/C24H23ClN2O3S/c1-17-10-12-21(13-11-17)31(29,30)27-16-20-8-3-2-6-18(20)14-23(27)24(28)26-15-19-7-4-5-9-22(19)25/h2-13,23H,14-16H2,1H3,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.9087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.978 g/mol  logS: -6.39889  SlogP: 4.61319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124182  Sterimol/B1: 2.52802  Sterimol/B2: 3.38093  Sterimol/B3: 5.84931
  Sterimol/B4: 10.0318  Sterimol/L: 17.3268 
 
 Surface and Volume Properties
  Accessible surface: 690.928  Positive charged surface: 371.564  Negative charged surface: 319.364  Volume: 411.375
  Hydrophobic surface: 622.337  Hydrophilic surface: 68.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.