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PUBCHEM-ZINC02993327

 MMsINC code: MMs02976684
Type: Neutral
Formula: C19H18Cl2N2O4S
SMILES:   Clc1ccc(NC(=S)NC(=O)c2cc(Cl)c(OC)cc2)cc1C(OC(C)C)=O
InChI:   InChI=1/C19H18Cl2N2O4S/c1-10(2)27-18(25)13-9-12(5-6-14(13)20)22-19(28)23-17(24)11-4-7-16(26-3)15(21)8-11/h4-10H,1-3H3,(H2,22,23,24,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 441.335 g/mol  logS: -7.37347  SlogP: 4.694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322626  Sterimol/B1: 2.67528  Sterimol/B2: 2.7446  Sterimol/B3: 4.92277
  Sterimol/B4: 9.01023  Sterimol/L: 19.3035 
 
 Surface and Volume Properties
  Accessible surface: 690.368  Positive charged surface: 370.373  Negative charged surface: 319.995  Volume: 375.625
  Hydrophobic surface: 522.446  Hydrophilic surface: 167.922
 
 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.