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PUBCHEM-ZINC05675658

 MMsINC code: MMs03343910
Type: Neutral
Formula: C24H21ClN2O3
SMILES:   Clc1ccccc1CNC(=O)/C(/NC(=O)c1ccccc1)=C/c1ccc(OC)cc1
InChI:   InChI=1/C24H21ClN2O3/c1-30-20-13-11-17(12-14-20)15-22(27-23(28)18-7-3-2-4-8-18)24(29)26-16-19-9-5-6-10-21(19)25/h2-15H,16H2,1H3,(H,26,29)(H,27,28)/b22-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.896 g/mol  logS: -6.59542  SlogP: 4.7023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619644  Sterimol/B1: 3.85009  Sterimol/B2: 4.38123  Sterimol/B3: 4.87862
  Sterimol/B4: 7.64898  Sterimol/L: 18.7962 
 
 Surface and Volume Properties
  Accessible surface: 701.071  Positive charged surface: 379.606  Negative charged surface: 321.465  Volume: 395.75
  Hydrophobic surface: 632.033  Hydrophilic surface: 69.038
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.