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CHEMBRIDGE-ZINC01005384

 MMsINC code: MMs00651693
Type: Neutral
Formula: C17H17ClN2O3S
SMILES:   Clc1cc(NC(=S)NC(=O)c2ccc(OCC)cc2)ccc1OC
InChI:   InChI=1/C17H17ClN2O3S/c1-3-23-13-7-4-11(5-8-13)16(21)20-17(24)19-12-6-9-15(22-2)14(18)10-12/h4-10H,3H2,1-2H3,(H2,19,20,21,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.853 g/mol  logS: -5.98062  SlogP: 3.8741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0121013  Sterimol/B1: 2.59927  Sterimol/B2: 3.71807  Sterimol/B3: 4.27273
  Sterimol/B4: 5.17539  Sterimol/L: 21.1666 
 
 Surface and Volume Properties
  Accessible surface: 619.652  Positive charged surface: 358.924  Negative charged surface: 260.728  Volume: 323.875
  Hydrophobic surface: 474.668  Hydrophilic surface: 144.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.