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CHEMDIV-ZINC03896944

 MMsINC code: MMs00918051
Type: Neutral
Formula: C15H20FNO2S
SMILES:   S(=O)(=O)(NCC1C2CC(C1)CC2)c1ccc(F)cc1C
InChI:   InChI=1/C15H20FNO2S/c1-10-6-14(16)4-5-15(10)20(18,19)17-9-13-8-11-2-3-12(13)7-11/h4-6,11-13,17H,2-3,7-9H2,1H3/t11-,12+,13+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.0418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.394 g/mol  logS: -4.26586  SlogP: 2.84862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230286  Sterimol/B1: 2.40956  Sterimol/B2: 3.31668  Sterimol/B3: 5.62519
  Sterimol/B4: 6.16338  Sterimol/L: 12.6336 
 
 Surface and Volume Properties
  Accessible surface: 491.128  Positive charged surface: 285.958  Negative charged surface: 205.17  Volume: 272.25
  Hydrophobic surface: 421.205  Hydrophilic surface: 69.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.