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ASINEX-ZINC00921493

MMsINC code: MMs00221390

Type: Neutral
Formula: C19H20Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCC(=O)N(C1CCCCC1)c1ncccc1
InChI:   InChI=1/C19H20Cl2N2O2/c20-14-9-10-17(16(21)12-14)25-13-19(24)23(15-6-2-1-3-7-15)18-8-4-5-11-22-18/h4-5,8-12,15H,1-3,6-7,13H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=86.7261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.287 g/mol  logS: -5.31854  SlogP: 5.1331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0899888  Sterimol/B1: 2.55597  Sterimol/B2: 3.08913  Sterimol/B3: 4.83251
  Sterimol/B4: 9.82096  Sterimol/L: 17.1644 
 
 Surface and Volume Properties
  Accessible surface: 614.934  Positive charged surface: 339.501  Negative charged surface: 275.433  Volume: 343
  Hydrophobic surface: 588.613  Hydrophilic surface: 26.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1

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Ions/Tautomers related molecules: no related molecules available.