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ENAMINE-ZINC05784426

 MMsINC code: MMs01638235
Type: Neutral
Formula: C24H19ClN2O2
SMILES:   Clc1cc(N\C=C\2/c3c(cccc3)C(=O)N(c3ccc(cc3C)C)C/2=O)ccc1
InChI:   InChI=1/C24H19ClN2O2/c1-15-10-11-22(16(2)12-15)27-23(28)20-9-4-3-8-19(20)21(24(27)29)14-26-18-7-5-6-17(25)13-18/h3-14,26H,1-2H3/b21-14-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.881 g/mol  logS: -7.00023  SlogP: 5.59684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.071277  Sterimol/B1: 3.57638  Sterimol/B2: 3.72604  Sterimol/B3: 4.82077
  Sterimol/B4: 10.1904  Sterimol/L: 17.633 
 
 Surface and Volume Properties
  Accessible surface: 660.179  Positive charged surface: 311.135  Negative charged surface: 349.044  Volume: 377.75
  Hydrophobic surface: 616.983  Hydrophilic surface: 43.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs01638236
ENAMINE-ZINC05784426