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CHEMDIV-ZINC06804127

 MMsINC code: MMs01031309
Type: Neutral
Formula: C19H23ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)NC2CCCCC2Nc2ccccc2C)cc1
InChI:   InChI=1/C19H23ClN2O2S/c1-14-6-2-3-7-17(14)21-18-8-4-5-9-19(18)22-25(23,24)16-12-10-15(20)11-13-16/h2-3,6-7,10-13,18-19,21-22H,4-5,8-9H2,1H3/t18-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.924 g/mol  logS: -4.66434  SlogP: 4.35002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196294  Sterimol/B1: 2.8175  Sterimol/B2: 5.34908  Sterimol/B3: 5.73653
  Sterimol/B4: 7.11067  Sterimol/L: 13.7951 
 
 Surface and Volume Properties
  Accessible surface: 578.47  Positive charged surface: 304.57  Negative charged surface: 273.9  Volume: 350
  Hydrophobic surface: 512.838  Hydrophilic surface: 65.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.