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PUBCHEM-ZINC02073536

 MMsINC code: MMs02869620
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(Nc1cc(ccc1)C)c1cc(NC(=O)C(CC)c2ccccc2)ccc1
InChI:   InChI=1/C24H24N2O2/c1-3-22(18-10-5-4-6-11-18)24(28)26-21-14-8-12-19(16-21)23(27)25-20-13-7-9-17(2)15-20/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -6.57724  SlogP: 5.37962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0536778  Sterimol/B1: 3.26263  Sterimol/B2: 4.9536  Sterimol/B3: 5.95129
  Sterimol/B4: 6.87266  Sterimol/L: 17.8803 
 
 Surface and Volume Properties
  Accessible surface: 688.632  Positive charged surface: 407.191  Negative charged surface: 281.442  Volume: 378.875
  Hydrophobic surface: 601.989  Hydrophilic surface: 86.643
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.