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ENAMINE-ZINC03263274

 MMsINC code: MMs01338005
Type: Neutral
Formula: C16H12Cl2N2O3S
SMILES:   Clc1cc(NC(=O)CSc2oc3c(n2)cc(Cl)cc3)c(OC)cc1
InChI:   InChI=1/C16H12Cl2N2O3S/c1-22-13-4-2-9(17)6-11(13)19-15(21)8-24-16-20-12-7-10(18)3-5-14(12)23-16/h2-7H,8H2,1H3,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.4071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.255 g/mol  logS: -7.15342  SlogP: 4.874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0093474  Sterimol/B1: 2.40506  Sterimol/B2: 2.49901  Sterimol/B3: 2.98287
  Sterimol/B4: 8.61154  Sterimol/L: 19.6562 
 
 Surface and Volume Properties
  Accessible surface: 612.422  Positive charged surface: 298.442  Negative charged surface: 313.98  Volume: 316.375
  Hydrophobic surface: 483.4  Hydrophilic surface: 129.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.