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CHEMDIV-ZINC06798747

 MMsINC code: MMs01027105
Type: Neutral
Formula: C23H19ClN2OS
SMILES:   Clc1ccccc1CNC(=O)c1[nH]c2c(cccc2)c1Sc1ccc(cc1)C
InChI:   InChI=1/C23H19ClN2OS/c1-15-10-12-17(13-11-15)28-22-18-7-3-5-9-20(18)26-21(22)23(27)25-14-16-6-2-4-8-19(16)24/h2-13,26H,14H2,1H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=65.4611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.937 g/mol  logS: -7.7952  SlogP: 6.47732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119594  Sterimol/B1: 2.45038  Sterimol/B2: 2.66232  Sterimol/B3: 6.03026
  Sterimol/B4: 10.8024  Sterimol/L: 16.3783 
 
 Surface and Volume Properties
  Accessible surface: 677.406  Positive charged surface: 338.299  Negative charged surface: 336.248  Volume: 381.625
  Hydrophobic surface: 626.181  Hydrophilic surface: 51.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.