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ASINEX-ZINC00869251

 MMsINC code: MMs00200918
Type: Neutral
Formula: C23H23ClN2O2
SMILES:   Clc1ccc(cc1)C(NC(=O)C1CCCCC1)c1ccc2c(nccc2)c1O
InChI:   InChI=1/C23H23ClN2O2/c24-18-11-8-16(9-12-18)20(26-23(28)17-5-2-1-3-6-17)19-13-10-15-7-4-14-25-21(15)22(19)27/h4,7-14,17,20,27H,1-3,5-6H2,(H,26,28)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.5395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.902 g/mol  logS: -6.11431  SlogP: 5.4752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124215  Sterimol/B1: 2.29486  Sterimol/B2: 4.07337  Sterimol/B3: 4.23942
  Sterimol/B4: 10.1545  Sterimol/L: 16.8967 
 
 Surface and Volume Properties
  Accessible surface: 645.129  Positive charged surface: 385.86  Negative charged surface: 254.303  Volume: 374.125
  Hydrophobic surface: 571.597  Hydrophilic surface: 73.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.