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ASINEX-ZINC00881335

 MMsINC code: MMs00205933
Type: Neutral
Formula: C20H24N2O4S
SMILES:   S(=O)(=O)(N1CCCCC1)c1ccc(NC(=O)C(OC)c2ccccc2)cc1
InChI:   InChI=1/C20H24N2O4S/c1-26-19(16-8-4-2-5-9-16)20(23)21-17-10-12-18(13-11-17)27(24,25)22-14-6-3-7-15-22/h2,4-5,8-13,19H,3,6-7,14-15H2,1H3,(H,21,23)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.4681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.488 g/mol  logS: -4.16522  SlogP: 3.2829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774566  Sterimol/B1: 2.23081  Sterimol/B2: 3.19543  Sterimol/B3: 4.63502
  Sterimol/B4: 7.83479  Sterimol/L: 17.7503 
 
 Surface and Volume Properties
  Accessible surface: 654.021  Positive charged surface: 426.994  Negative charged surface: 227.028  Volume: 359.75
  Hydrophobic surface: 566.203  Hydrophilic surface: 87.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.