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CHEMDIV-ZINC02938275

 MMsINC code: MMs00894258
Type: Neutral
Formula: C18H27FN2O3S
SMILES:   S(=O)(=O)(NCC1CCC(CC1)C(=O)NC(CC)C)c1ccc(F)cc1
InChI:   InChI=1/C18H27FN2O3S/c1-3-13(2)21-18(22)15-6-4-14(5-7-15)12-20-25(23,24)17-10-8-16(19)9-11-17/h8-11,13-15,20H,3-7,12H2,1-2H3,(H,21,22)/t13-,14-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.6527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.489 g/mol  logS: -3.33533  SlogP: 2.8251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040622  Sterimol/B1: 2.67852  Sterimol/B2: 2.99163  Sterimol/B3: 4.69783
  Sterimol/B4: 6.42537  Sterimol/L: 19.155 
 
 Surface and Volume Properties
  Accessible surface: 636.773  Positive charged surface: 392.987  Negative charged surface: 243.787  Volume: 349.5
  Hydrophobic surface: 487.814  Hydrophilic surface: 148.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.