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CHEMBRIDGE-ZINC01038115

 MMsINC code: MMs00652486
Type: Neutral
Formula: C15H12ClFN2O3S
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)NC1CCSC1=O
InChI:   InChI=1/C15H12ClFN2O3S/c1-7-11(14(20)18-10-5-6-23-15(10)21)13(19-22-7)12-8(16)3-2-4-9(12)17/h2-4,10H,5-6H2,1H3,(H,18,20)/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.0248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.789 g/mol  logS: -5.645  SlogP: 3.20442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154778  Sterimol/B1: 2.47814  Sterimol/B2: 3.48327  Sterimol/B3: 4.77341
  Sterimol/B4: 9.50389  Sterimol/L: 12.3119 
 
 Surface and Volume Properties
  Accessible surface: 528.013  Positive charged surface: 253.708  Negative charged surface: 274.305  Volume: 290.125
  Hydrophobic surface: 410.694  Hydrophilic surface: 117.319
 
 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.