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CHEMBRIDGE-ZINC01108484

 MMsINC code: MMs00660918
Type: Neutral
Formula: C24H19ClN2O2
SMILES:   Clc1cc2c(N(CCc3ccccc3)C(=O)C2(O)c2c3c([nH]c2)cccc3)cc1
InChI:   InChI=1/C24H19ClN2O2/c25-17-10-11-22-19(14-17)24(29,20-15-26-21-9-5-4-8-18(20)21)23(28)27(22)13-12-16-6-2-1-3-7-16/h1-11,14-15,26,29H,12-13H2/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.7557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.881 g/mol  logS: -6.0223  SlogP: 4.95797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167131  Sterimol/B1: 3.20299  Sterimol/B2: 4.35524  Sterimol/B3: 5.26675
  Sterimol/B4: 8.37318  Sterimol/L: 16.3633 
 
 Surface and Volume Properties
  Accessible surface: 644.929  Positive charged surface: 310.44  Negative charged surface: 332.174  Volume: 375.625
  Hydrophobic surface: 541.204  Hydrophilic surface: 103.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.