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CHEMBLOCK-ZINC04580383

 MMsINC code: MMs00558980
Type: Neutral
Formula: C23H28ClNO2S
SMILES:   Clc1c2c(cccc2)c(S(=O)(=O)NC(CC)C23CC4CC(C2)CC(C3)C4)cc1
InChI:   InChI=1/C23H28ClNO2S/c1-2-22(23-12-15-9-16(13-23)11-17(10-15)14-23)25-28(26,27)21-8-7-20(24)18-5-3-4-6-19(18)21/h3-8,15-17,22,25H,2,9-14H2,1H3/t15-,16+,17-,22-,23-/m1/s1

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Potential Energy
Epot(MMFF94)=78.6983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.001 g/mol  logS: -8.08173  SlogP: 5.7665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.329939  Sterimol/B1: 1.98952  Sterimol/B2: 4.47895  Sterimol/B3: 4.94699
  Sterimol/B4: 9.01319  Sterimol/L: 12.6473 
 
 Surface and Volume Properties
  Accessible surface: 575.582  Positive charged surface: 335.722  Negative charged surface: 234.452  Volume: 384
  Hydrophobic surface: 501.947  Hydrophilic surface: 73.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.