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ENAMINE-ZINC02662021

 MMsINC code: MMs01282842
Type: Neutral
Formula: C20H19F2NO4S
SMILES:   S(C(F)F)c1ccc(NC(=O)COC(=O)COc2cc3CCCc3cc2)cc1
InChI:   InChI=1/C20H19F2NO4S/c21-20(22)28-17-8-5-15(6-9-17)23-18(24)11-27-19(25)12-26-16-7-4-13-2-1-3-14(13)10-16/h4-10,20H,1-3,11-12H2,(H,23,24)

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Potential Energy
Epot(MMFF94)=100.997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.437 g/mol  logS: -6.30615  SlogP: 4.47054  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0103712  Sterimol/B1: 2.11406  Sterimol/B2: 3.48016  Sterimol/B3: 4.19936
  Sterimol/B4: 4.73175  Sterimol/L: 24.2332 
 
 Surface and Volume Properties
  Accessible surface: 682.927  Positive charged surface: 393.461  Negative charged surface: 289.467  Volume: 354.625
  Hydrophobic surface: 474.62  Hydrophilic surface: 208.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.