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PUBCHEM-ZINC04723945

 MMsINC code: MMs03163302
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(NC(C)c1ccccc1)c1ccccc1NC(=O)CCc1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-18(20-12-6-3-7-13-20)25-24(28)21-14-8-9-15-22(21)26-23(27)17-16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.5395  SlogP: 4.84437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038885  Sterimol/B1: 2.25174  Sterimol/B2: 2.89961  Sterimol/B3: 5.03388
  Sterimol/B4: 8.89842  Sterimol/L: 20.0018 
 
 Surface and Volume Properties
  Accessible surface: 694.447  Positive charged surface: 398.801  Negative charged surface: 295.645  Volume: 381.875
  Hydrophobic surface: 619.213  Hydrophilic surface: 75.234
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.