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ENAMINE-ZINC02619760

 MMsINC code: MMs01254561
Type: Neutral
Formula: C18H18Cl2N4O2S
SMILES:   Clc1cc(Cl)c(nc1C)NC(=O)CSc1nc2c(n1CCOC)cccc2
InChI:   InChI=1/C18H18Cl2N4O2S/c1-11-12(19)9-13(20)17(21-11)23-16(25)10-27-18-22-14-5-3-4-6-15(14)24(18)7-8-26-2/h3-6,9H,7-8,10H2,1-2H3,(H,21,23,25)

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Potential Energy
Epot(MMFF94)=71.4552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.34 g/mol  logS: -6.29589  SlogP: 4.69012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0225355  Sterimol/B1: 2.53054  Sterimol/B2: 3.60926  Sterimol/B3: 4.76146
  Sterimol/B4: 7.95617  Sterimol/L: 19.4354 
 
 Surface and Volume Properties
  Accessible surface: 693.548  Positive charged surface: 395.162  Negative charged surface: 298.386  Volume: 368.75
  Hydrophobic surface: 584.89  Hydrophilic surface: 108.658
 
 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.