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ENAMINE-ZINC03316692

 MMsINC code: MMs01367355
Type: Neutral
Formula: C14H11ClFNO3S
SMILES:   Clc1cc(F)ccc1NC(=O)COC(=O)Cc1ccsc1
InChI:   InChI=1/C14H11ClFNO3S/c15-11-6-10(16)1-2-12(11)17-13(18)7-20-14(19)5-9-3-4-21-8-9/h1-4,6,8H,5,7H2,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.8614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.763 g/mol  logS: -4.50753  SlogP: 3.26497  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0313331  Sterimol/B1: 2.55536  Sterimol/B2: 3.19033  Sterimol/B3: 3.75343
  Sterimol/B4: 6.51371  Sterimol/L: 18.1002 
 
 Surface and Volume Properties
  Accessible surface: 549.627  Positive charged surface: 249.324  Negative charged surface: 300.302  Volume: 270
  Hydrophobic surface: 475.5  Hydrophilic surface: 74.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.