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ENAMINE-ZINC03555827

 MMsINC code: MMs01506276
Type: Neutral
Formula: C11H8ClN3O3S
SMILES:   Clc1ccc([N+](=O)[O-])cc1C(=O)Nc1sc(cn1)C
InChI:   InChI=1/C11H8ClN3O3S/c1-6-5-13-11(19-6)14-10(16)8-4-7(15(17)18)2-3-9(8)12/h2-5H,1H3,(H,13,14,16)

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Potential Energy
Epot(MMFF94)=69.5515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.722 g/mol  logS: -4.66415  SlogP: 3.26542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00390432  Sterimol/B1: 2.19264  Sterimol/B2: 2.51218  Sterimol/B3: 4.32323
  Sterimol/B4: 6.00627  Sterimol/L: 15.1705 
 
 Surface and Volume Properties
  Accessible surface: 479.193  Positive charged surface: 204.35  Negative charged surface: 274.842  Volume: 236.875
  Hydrophobic surface: 344.254  Hydrophilic surface: 134.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.