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ENAMINE-ZINC03473856

 MMsINC code: MMs01462460
Type: Neutral
Formula: C10H9F3N2O2S
SMILES:   S(CC(=O)NC(=O)N)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C10H9F3N2O2S/c11-10(12,13)6-2-1-3-7(4-6)18-5-8(16)15-9(14)17/h1-4H,5H2,(H3,14,15,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.5019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.254 g/mol  logS: -3.96992  SlogP: 2.3039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00982517  Sterimol/B1: 2.56424  Sterimol/B2: 2.6361  Sterimol/B3: 2.64004
  Sterimol/B4: 5.4311  Sterimol/L: 16.0097 
 
 Surface and Volume Properties
  Accessible surface: 455.897  Positive charged surface: 199.631  Negative charged surface: 256.267  Volume: 214.25
  Hydrophobic surface: 155.251  Hydrophilic surface: 300.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.