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CHEMBRIDGE-ZINC00710392

 MMsINC code: MMs00641648
Type: Neutral
Formula: C20H13ClFN3OS2
SMILES:   Clc1cc(NC(=O)CSc2ncnc3sc(cc23)-c2ccccc2)ccc1F
InChI:   InChI=1/C20H13ClFN3OS2/c21-15-8-13(6-7-16(15)22)25-18(26)10-27-19-14-9-17(12-4-2-1-3-5-12)28-20(14)24-11-23-19/h1-9,11H,10H2,(H,25,26)

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Potential Energy
Epot(MMFF94)=88.9965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.927 g/mol  logS: -9.30621  SlogP: 5.8816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00834445  Sterimol/B1: 2.8032  Sterimol/B2: 2.92527  Sterimol/B3: 3.36218
  Sterimol/B4: 9.1645  Sterimol/L: 21.1588 
 
 Surface and Volume Properties
  Accessible surface: 670.837  Positive charged surface: 307.417  Negative charged surface: 357.804  Volume: 361.25
  Hydrophobic surface: 527.775  Hydrophilic surface: 143.062
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.