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ENAMINE-ZINC03571205

 MMsINC code: MMs01513838
Type: Neutral
Formula: C19H19ClN4O2S
SMILES:   Clc1ccc(nc1)NC(=O)CSC1=Nc2c(cccc2)C(=O)N1CCCC
InChI:   InChI=1/C19H19ClN4O2S/c1-2-3-10-24-18(26)14-6-4-5-7-15(14)22-19(24)27-12-17(25)23-16-9-8-13(20)11-21-16/h4-9,11H,2-3,10,12H2,1H3,(H,21,23,25)

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Potential Energy
Epot(MMFF94)=50.8233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.906 g/mol  logS: -5.96134  SlogP: 4.3503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279476  Sterimol/B1: 2.1521  Sterimol/B2: 2.54087  Sterimol/B3: 4.30944
  Sterimol/B4: 11.8878  Sterimol/L: 18.504 
 
 Surface and Volume Properties
  Accessible surface: 683.196  Positive charged surface: 405.605  Negative charged surface: 277.591  Volume: 361.625
  Hydrophobic surface: 536.318  Hydrophilic surface: 146.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.