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CHEMBRIDGE-ZINC02821264

 MMsINC code: MMs00718758
Type: Neutral
Formula: C18H15Cl2NO2S2
SMILES:   Clc1c(cccc1Cl)-c1oc(cc1)\C=C/1\SC(=S)N(CC(C)C)C\1=O
InChI:   InChI=1/C18H15Cl2NO2S2/c1-10(2)9-21-17(22)15(25-18(21)24)8-11-6-7-14(23-11)12-4-3-5-13(19)16(12)20/h3-8,10H,9H2,1-2H3/b15-8-

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Potential Energy
Epot(MMFF94)=70.1552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.361 g/mol  logS: -8.58403  SlogP: 6.1106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494208  Sterimol/B1: 3.14155  Sterimol/B2: 3.53122  Sterimol/B3: 4.4769
  Sterimol/B4: 7.06297  Sterimol/L: 17.9303 
 
 Surface and Volume Properties
  Accessible surface: 622.138  Positive charged surface: 275.316  Negative charged surface: 346.823  Volume: 348.625
  Hydrophobic surface: 468.804  Hydrophilic surface: 153.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.