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CHEMDIV-ZINC03483255

 MMsINC code: MMs00910651
Type: Neutral
Formula: C20H23ClN2O3S
SMILES:   Clc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CC(CC(C2)C)C)cc1
InChI:   InChI=1/C20H23ClN2O3S/c1-14-11-15(2)13-23(12-14)27(25,26)17-9-7-16(8-10-17)20(24)22-19-6-4-3-5-18(19)21/h3-10,14-15H,11-13H2,1-2H3,(H,22,24)/t14-,15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.1147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.934 g/mol  logS: -5.16041  SlogP: 4.2589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113932  Sterimol/B1: 2.35333  Sterimol/B2: 3.79763  Sterimol/B3: 5.50617
  Sterimol/B4: 7.75157  Sterimol/L: 17.2419 
 
 Surface and Volume Properties
  Accessible surface: 625.615  Positive charged surface: 348.693  Negative charged surface: 276.922  Volume: 365.375
  Hydrophobic surface: 504.722  Hydrophilic surface: 120.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.