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PUBCHEM-ZINC06815618

 MMsINC code: MMs03866166
Type: Neutral
Formula: C24H22N2O3
SMILES:   o1c2c(nc1-c1ccccc1NC(=O)CCCOc1ccccc1)cc(cc2)C
InChI:   InChI=1/C24H22N2O3/c1-17-13-14-22-21(16-17)26-24(29-22)19-10-5-6-11-20(19)25-23(27)12-7-15-28-18-8-3-2-4-9-18/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.4141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -7.30497  SlogP: 5.60092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0155817  Sterimol/B1: 2.34918  Sterimol/B2: 2.56028  Sterimol/B3: 3.35641
  Sterimol/B4: 11.6703  Sterimol/L: 19.954 
 
 Surface and Volume Properties
  Accessible surface: 704.251  Positive charged surface: 430.943  Negative charged surface: 273.308  Volume: 375.375
  Hydrophobic surface: 634.28  Hydrophilic surface: 69.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.