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NANOSIN-ZINC04749156

 MMsINC code: MMs02211671
Type: Neutral
Formula: C18H19ClN2O4S
SMILES:   Clc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC1)Cc1ccccc1
InChI:   InChI=1/C18H19ClN2O4S/c19-17-7-6-16(21(22)23)13-18(17)26(24,25)20-10-8-15(9-11-20)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2

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Potential Energy
Epot(MMFF94)=74.6633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.879 g/mol  logS: -5.59449  SlogP: 3.89157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0918927  Sterimol/B1: 3.14226  Sterimol/B2: 3.3077  Sterimol/B3: 5.07857
  Sterimol/B4: 6.65493  Sterimol/L: 16.6872 
 
 Surface and Volume Properties
  Accessible surface: 592.183  Positive charged surface: 284.472  Negative charged surface: 307.71  Volume: 336.875
  Hydrophobic surface: 460.294  Hydrophilic surface: 131.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.