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ENAMINE-ZINC02652651

 MMsINC code: MMs01276451
Type: Neutral
Formula: C24H23ClN2O3S
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCc2c1cccc2)C(=O)Nc1c(cc(cc1C)C)C
InChI:   InChI=1/C24H23ClN2O3S/c1-15-12-16(2)23(17(3)13-15)26-24(28)19-8-9-20(25)22(14-19)31(29,30)27-11-10-18-6-4-5-7-21(18)27/h4-9,12-14H,10-11H2,1-3H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.978 g/mol  logS: -6.80531  SlogP: 5.26893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420481  Sterimol/B1: 3.61664  Sterimol/B2: 4.10654  Sterimol/B3: 4.18905
  Sterimol/B4: 7.16798  Sterimol/L: 18.6578 
 
 Surface and Volume Properties
  Accessible surface: 703.648  Positive charged surface: 373.973  Negative charged surface: 329.675  Volume: 412
  Hydrophobic surface: 629.176  Hydrophilic surface: 74.472
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.