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PUBCHEM-ZINC01425341

 MMsINC code: MMs02804751
Type: Neutral
Formula: C19H18Cl2N2O5S
SMILES:   Clc1cc(ccc1Cl)C(=O)Nc1ccccc1S(=O)(=O)N1CCCC1C(OC)=O
InChI:   InChI=1/C19H18Cl2N2O5S/c1-28-19(25)16-6-4-10-23(16)29(26,27)17-7-3-2-5-15(17)22-18(24)12-8-9-13(20)14(21)11-12/h2-3,5,7-9,11,16H,4,6,10H2,1H3,(H,22,24)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=91.3163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.334 g/mol  logS: -5.69756  SlogP: 3.5718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147813  Sterimol/B1: 2.49475  Sterimol/B2: 4.8589  Sterimol/B3: 6.04899
  Sterimol/B4: 6.94646  Sterimol/L: 16.8518 
 
 Surface and Volume Properties
  Accessible surface: 628.002  Positive charged surface: 311.52  Negative charged surface: 316.482  Volume: 377
  Hydrophobic surface: 534.708  Hydrophilic surface: 93.294
 
 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.