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PUBCHEM-ZINC02938223

 MMsINC code: MMs02962769
Type: Neutral
Formula: C20H23FN2O4S
SMILES:   S(=O)(=O)(NC(Cc1ccccc1)C(=O)NCC1OCCC1)c1ccc(F)cc1
InChI:   InChI=1/C20H23FN2O4S/c21-16-8-10-18(11-9-16)28(25,26)23-19(13-15-5-2-1-3-6-15)20(24)22-14-17-7-4-12-27-17/h1-3,5-6,8-11,17,19,23H,4,7,12-14H2,(H,22,24)/t17-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.0394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.478 g/mol  logS: -4.2148  SlogP: 2.01047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132538  Sterimol/B1: 2.097  Sterimol/B2: 3.61447  Sterimol/B3: 5.07701
  Sterimol/B4: 10.1353  Sterimol/L: 15.2625 
 
 Surface and Volume Properties
  Accessible surface: 652.172  Positive charged surface: 397.038  Negative charged surface: 255.134  Volume: 363.375
  Hydrophobic surface: 560.779  Hydrophilic surface: 91.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.