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CHEMDIV-ZINC02031460

 MMsINC code: MMs00870021
Type: Neutral
Formula: C26H23ClN2O3
SMILES:   Clc1cc(ccc1)C(=O)N(CCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(cc1)C
InChI:   InChI=1/C26H23ClN2O3/c1-18-11-13-21(14-12-18)28(24(30)19-7-6-8-20(27)17-19)15-4-5-16-29-25(31)22-9-2-3-10-23(22)26(29)32/h2-3,6-14,17H,4-5,15-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.934 g/mol  logS: -7.20482  SlogP: 5.37162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304566  Sterimol/B1: 2.18076  Sterimol/B2: 3.27404  Sterimol/B3: 3.3399
  Sterimol/B4: 11.9981  Sterimol/L: 18.4969 
 
 Surface and Volume Properties
  Accessible surface: 704.549  Positive charged surface: 378.001  Negative charged surface: 326.548  Volume: 418.375
  Hydrophobic surface: 614.691  Hydrophilic surface: 89.858
 
 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.