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ENAMINE-ZINC03175139

 MMsINC code: MMs01295522
Type: Neutral
Formula: C25H17ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccccc2C(=O)n2c3c(c4c2cccc4)cccc3)cc1
InChI:   InChI=1/C25H17ClN2O3S/c26-17-13-15-18(16-14-17)32(30,31)27-22-10-4-1-9-21(22)25(29)28-23-11-5-2-7-19(23)20-8-3-6-12-24(20)28/h1-16,27H

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Potential Energy
Epot(MMFF94)=114.591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.941 g/mol  logS: -7.96681  SlogP: 5.9372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147784  Sterimol/B1: 2.45317  Sterimol/B2: 4.58628  Sterimol/B3: 5.28234
  Sterimol/B4: 8.82115  Sterimol/L: 15.6339 
 
 Surface and Volume Properties
  Accessible surface: 660.103  Positive charged surface: 280.335  Negative charged surface: 371.423  Volume: 403.75
  Hydrophobic surface: 571.383  Hydrophilic surface: 88.72
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.