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ENAMINE-ZINC03296511

 MMsINC code: MMs01356178
Type: Neutral
Formula: C17H11ClF2N4O3S
SMILES:   Clc1cc(F)c(F)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChI:   InChI=1/C17H11ClF2N4O3S/c18-13-9-15(20)14(19)8-12(13)16(25)23-10-2-4-11(5-3-10)28(26,27)24-17-21-6-1-7-22-17/h1-9H,(H,23,25)(H,21,22,24)

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Potential Energy
Epot(MMFF94)=37.2455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.815 g/mol  logS: -5.84556  SlogP: 3.4613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358467  Sterimol/B1: 2.56257  Sterimol/B2: 2.87846  Sterimol/B3: 4.03103
  Sterimol/B4: 8.13854  Sterimol/L: 17.0573 
 
 Surface and Volume Properties
  Accessible surface: 604.473  Positive charged surface: 287.744  Negative charged surface: 316.73  Volume: 329.125
  Hydrophobic surface: 459.647  Hydrophilic surface: 144.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.