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CHEMBRIDGE-ZINC02197405

 MMsINC code: MMs00704133
Type: Neutral
Formula: C19H18ClN3O3
SMILES:   Clc1ccc(cc1)-c1nc(on1)-c1ccccc1C(=O)NCCCOC
InChI:   InChI=1/C19H18ClN3O3/c1-25-12-4-11-21-18(24)15-5-2-3-6-16(15)19-22-17(23-26-19)13-7-9-14(20)10-8-13/h2-3,5-10H,4,11-12H2,1H3,(H,21,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.8522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.824 g/mol  logS: -7.2624  SlogP: 3.8233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173949  Sterimol/B1: 2.41744  Sterimol/B2: 3.11127  Sterimol/B3: 3.86958
  Sterimol/B4: 10.0678  Sterimol/L: 19.7659 
 
 Surface and Volume Properties
  Accessible surface: 662.843  Positive charged surface: 396.016  Negative charged surface: 266.828  Volume: 342.375
  Hydrophobic surface: 570.018  Hydrophilic surface: 92.825
 
 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.