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PUBCHEM-ZINC02552585

 MMsINC code: MMs02899804
Type: Neutral
Formula: C23H19Cl2N3O3
SMILES:   Clc1cc(ccc1Cl)C(=O)NCC(=O)N\N=C\c1ccc(OCc2ccccc2)cc1
InChI:   InChI=1/C23H19Cl2N3O3/c24-20-11-8-18(12-21(20)25)23(30)26-14-22(29)28-27-13-16-6-9-19(10-7-16)31-15-17-4-2-1-3-5-17/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+

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Potential Energy
Epot(MMFF94)=121.251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.329 g/mol  logS: -6.99758  SlogP: 4.7189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0124079  Sterimol/B1: 3.61749  Sterimol/B2: 3.61767  Sterimol/B3: 4.81912
  Sterimol/B4: 7.08103  Sterimol/L: 24.9893 
 
 Surface and Volume Properties
  Accessible surface: 779.504  Positive charged surface: 383.496  Negative charged surface: 396.008  Volume: 410.25
  Hydrophobic surface: 639.172  Hydrophilic surface: 140.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.