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CHEMBRIDGE-ZINC01130843

 MMsINC code: MMs00667100
Type: Neutral
Formula: C15H12Cl2N2O3S
SMILES:   Clc1cccc(Cl)c1CSCC(=O)Nc1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C15H12Cl2N2O3S/c16-13-5-2-6-14(17)12(13)8-23-9-15(20)18-10-3-1-4-11(7-10)19(21)22/h1-7H,8-9H2,(H,18,20)

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Potential Energy
Epot(MMFF94)=88.5136 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.244 g/mol  logS: -6.60556  SlogP: 5.0399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0424468  Sterimol/B1: 2.55573  Sterimol/B2: 3.57843  Sterimol/B3: 4.62519
  Sterimol/B4: 6.18613  Sterimol/L: 18.9275 
 
 Surface and Volume Properties
  Accessible surface: 593.155  Positive charged surface: 243.412  Negative charged surface: 349.743  Volume: 305.375
  Hydrophobic surface: 440.211  Hydrophilic surface: 152.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.