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PUBCHEM-ZINC02928997

 MMsINC code: MMs02961234
Type: Neutral
Formula: C24H32N2O3
SMILES:   O(C(=O)c1cc(n(CCC(=O)NC2CCCCCC2)c1C)-c1ccccc1)CC
InChI:   InChI=1/C24H32N2O3/c1-3-29-24(28)21-17-22(19-11-7-6-8-12-19)26(18(21)2)16-15-23(27)25-20-13-9-4-5-10-14-20/h6-8,11-12,17,20H,3-5,9-10,13-16H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.9375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.531 g/mol  logS: -5.18047  SlogP: 5.13572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349814  Sterimol/B1: 2.69029  Sterimol/B2: 3.69583  Sterimol/B3: 4.61274
  Sterimol/B4: 8.42373  Sterimol/L: 20.7533 
 
 Surface and Volume Properties
  Accessible surface: 711.813  Positive charged surface: 483.941  Negative charged surface: 227.872  Volume: 407.875
  Hydrophobic surface: 611.153  Hydrophilic surface: 100.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.