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CHEMBLOCK-ZINC01077750

 MMsINC code: MMs00514580
Type: Neutral
Formula: C18H18FN3O2S2
SMILES:   s1cccc1CN1C(CC(=O)Nc2ccc(F)cc2)C(=O)N(CC)C1=S
InChI:   InChI=1/C18H18FN3O2S2/c1-2-21-17(24)15(22(18(21)25)11-14-4-3-9-26-14)10-16(23)20-13-7-5-12(19)6-8-13/h3-9,15H,2,10-11H2,1H3,(H,20,23)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=57.0321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.491 g/mol  logS: -5.47551  SlogP: 3.5  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117788  Sterimol/B1: 2.54714  Sterimol/B2: 2.79146  Sterimol/B3: 5.19793
  Sterimol/B4: 9.56566  Sterimol/L: 16.5812 
 
 Surface and Volume Properties
  Accessible surface: 620.939  Positive charged surface: 324.882  Negative charged surface: 296.057  Volume: 349.375
  Hydrophobic surface: 483.624  Hydrophilic surface: 137.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.