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CHEMSTAR-ZINC03165086

 MMsINC code: MMs01085239
Type: Neutral
Formula: C10H15FNPS
SMILES:   S=P(Nc1cc(F)ccc1)(CC)CC
InChI:   InChI=1/C10H15FNPS/c1-3-13(14,4-2)12-10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.8078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.275 g/mol  logS: -2.82609  SlogP: 3.6719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160993  Sterimol/B1: 1.969  Sterimol/B2: 2.48008  Sterimol/B3: 5.04258
  Sterimol/B4: 6.45177  Sterimol/L: 12.7982 
 
 Surface and Volume Properties
  Accessible surface: 421.462  Positive charged surface: 224.469  Negative charged surface: 196.993  Volume: 217.25
  Hydrophobic surface: 315.831  Hydrophilic surface: 105.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.