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ENAMINE-ZINC03235901

 MMsINC code: MMs01321806
Type: Neutral
Formula: C25H20ClFN2O4S
SMILES:   Clc1ccc(cc1)-c1cc2n(C=CC=C2)c1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc
c1F
InChI:   InChI=1/C25H20ClFN2O4S/c26-18-6-4-17(5-7-18)21-15-19-3-1-2-10-29(19)24(21)25(30)22-16-20(8-9-23(22)27)34(31,32)28-11-13-33-14-12-28/h1-10,15-16H,11-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.962 g/mol  logS: -6.66224  SlogP: 4.697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.34154  Sterimol/B1: 2.86735  Sterimol/B2: 2.92126  Sterimol/B3: 8.07902
  Sterimol/B4: 10.988  Sterimol/L: 14.8717 
 
 Surface and Volume Properties
  Accessible surface: 698.169  Positive charged surface: 354.363  Negative charged surface: 343.807  Volume: 429.125
  Hydrophobic surface: 611.626  Hydrophilic surface: 86.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.