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PUBCHEM-ZINC03007697

 MMsINC code: MMs02979043
Type: Neutral
Formula: C24H29N3O4
SMILES:   O1CCN(CC1)C(=O)Cn1cc(c2c1cccc2)C(=O)C(=O)NCCC=1CCCCC=1
InChI:   InChI=1/C24H29N3O4/c28-22(26-12-14-31-15-13-26)17-27-16-20(19-8-4-5-9-21(19)27)23(29)24(30)25-11-10-18-6-2-1-3-7-18/h4-6,8-9,16H,1-3,7,10-15,17H2,(H,25,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.513 g/mol  logS: -4.37168  SlogP: 2.9559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443835  Sterimol/B1: 2.53325  Sterimol/B2: 3.50262  Sterimol/B3: 3.93657
  Sterimol/B4: 11.1184  Sterimol/L: 18.8178 
 
 Surface and Volume Properties
  Accessible surface: 740.745  Positive charged surface: 527.007  Negative charged surface: 207.895  Volume: 413.625
  Hydrophobic surface: 609.143  Hydrophilic surface: 131.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.