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MAYBRIDGE-ZINC00098210

MMsINC code: MMs02131294

Type: Neutral
Formula: C12H10Cl2N4O2S
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NNC(=S)N
InChI:   InChI=1/C12H10Cl2N4O2S/c1-5-8(11(19)16-17-12(15)21)10(18-20-5)9-6(13)3-2-4-7(9)14/h2-4H,1H3,(H,16,19)(H3,15,17,21)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=67.0022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.21 g/mol  logS: -5.43971  SlogP: 2.43482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239203  Sterimol/B1: 2.56335  Sterimol/B2: 4.6471  Sterimol/B3: 4.81442
  Sterimol/B4: 9.62893  Sterimol/L: 11.9006 
 
 Surface and Volume Properties
  Accessible surface: 532.124  Positive charged surface: 202.235  Negative charged surface: 329.888  Volume: 273.625
  Hydrophobic surface: 330.542  Hydrophilic surface: 201.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.