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CHEMDIV-ZINC04959226

 MMsINC code: MMs00973724
Type: Neutral
Formula: C14H10ClFN2O4S
SMILES:   Clc1cc(F)c(NS(=O)(=O)c2cc3OC(=O)N(c3cc2)C)cc1
InChI:   InChI=1/C14H10ClFN2O4S/c1-18-12-5-3-9(7-13(12)22-14(18)19)23(20,21)17-11-4-2-8(15)6-10(11)16/h2-7,17H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.8365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.761 g/mol  logS: -4.74748  SlogP: 3.2285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161044  Sterimol/B1: 3.3556  Sterimol/B2: 4.76352  Sterimol/B3: 5.24712
  Sterimol/B4: 6.16107  Sterimol/L: 13.088 
 
 Surface and Volume Properties
  Accessible surface: 516.392  Positive charged surface: 236.286  Negative charged surface: 280.106  Volume: 275.75
  Hydrophobic surface: 365.757  Hydrophilic surface: 150.635
 
 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.