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ASINEX-ZINC01379519

 MMsINC code: MMs00252123
Type: Neutral
Formula: C16H23ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCC(C)C)cc1
InChI:   InChI=1/C16H23ClN2O3S/c1-12(2)9-10-18-16(20)15-4-3-11-19(15)23(21,22)14-7-5-13(17)6-8-14/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=50.4437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.89 g/mol  logS: -4.3171  SlogP: 2.6554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729535  Sterimol/B1: 3.35558  Sterimol/B2: 4.84832  Sterimol/B3: 5.07183
  Sterimol/B4: 5.35778  Sterimol/L: 17.9645 
 
 Surface and Volume Properties
  Accessible surface: 607.46  Positive charged surface: 359.262  Negative charged surface: 248.198  Volume: 326.875
  Hydrophobic surface: 491.189  Hydrophilic surface: 116.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.