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CHEMDIV-ZINC02938273

 MMsINC code: MMs00894257
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.3244 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: 0.116904  Sterimol/B1: 2.27929  Sterimol/B2: 3.51095  Sterimol/B3: 5.32209
  Sterimol/B4: 7.77504  Sterimol/L: 17.1428 
 
 Surface and Volume Properties
  Accessible surface: 622.749  Positive charged surface: 383.703  Negative charged surface: 239.046  Volume: 346.375
  Hydrophobic surface: 483.205  Hydrophilic surface: 139.544
 
 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.