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CHEMDIV-ZINC04670118

 MMsINC code: MMs00940915
Type: Neutral
Formula: C19H30FNO4S
SMILES:   S(=O)(=O)(N(C(C(CC)C)C(OCC)=O)CCC(C)C)c1ccc(F)cc1
InChI:   InChI=1/C19H30FNO4S/c1-6-15(5)18(19(22)25-7-2)21(13-12-14(3)4)26(23,24)17-10-8-16(20)9-11-17/h8-11,14-15,18H,6-7,12-13H2,1-5H3/t15-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=86.5773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.516 g/mol  logS: -5.13419  SlogP: 3.8403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150312  Sterimol/B1: 2.25369  Sterimol/B2: 4.13615  Sterimol/B3: 4.70708
  Sterimol/B4: 11.1203  Sterimol/L: 15.8942 
 
 Surface and Volume Properties
  Accessible surface: 627.148  Positive charged surface: 383.023  Negative charged surface: 244.126  Volume: 368.75
  Hydrophobic surface: 474.058  Hydrophilic surface: 153.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.