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CHEMBLOCK-ZINC04578164

 MMsINC code: MMs00558870
Type: Neutral
Formula: C18H24ClNO3S
SMILES:   Clc1ccc(S(=O)(=O)NCC23CC4CC(C2)CC(C3)C4)cc1OC
InChI:   InChI=1/C18H24ClNO3S/c1-23-17-7-15(2-3-16(17)19)24(21,22)20-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,12-14,20H,4-6,8-11H2,1H3/t12-,13+,14-,18-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.1928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.913 g/mol  logS: -5.72525  SlogP: 3.8433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131969  Sterimol/B1: 2.19117  Sterimol/B2: 3.99545  Sterimol/B3: 4.9725
  Sterimol/B4: 7.04726  Sterimol/L: 15.2624 
 
 Surface and Volume Properties
  Accessible surface: 586.841  Positive charged surface: 375.296  Negative charged surface: 211.544  Volume: 331.125
  Hydrophobic surface: 512.312  Hydrophilic surface: 74.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.