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ASINEX-ZINC00787617

 MMsINC code: MMs00164235
Type: Neutral
Formula: C23H22N2O3
SMILES:   Oc1ccccc1C(=O)NC(C(=O)Nc1c(cccc1C)C)c1ccccc1
InChI:   InChI=1/C23H22N2O3/c1-15-9-8-10-16(2)20(15)24-23(28)21(17-11-4-3-5-12-17)25-22(27)18-13-6-7-14-19(18)26/h3-14,21,26H,1-2H3,(H,24,28)(H,25,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.27 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.44 g/mol  logS: -5.25433  SlogP: 4.21434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107387  Sterimol/B1: 2.47008  Sterimol/B2: 2.85304  Sterimol/B3: 5.13901
  Sterimol/B4: 9.85534  Sterimol/L: 16.5946 
 
 Surface and Volume Properties
  Accessible surface: 634.18  Positive charged surface: 372.023  Negative charged surface: 262.157  Volume: 368.625
  Hydrophobic surface: 547.304  Hydrophilic surface: 86.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.