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ENAMINE-ZINC03567748

 MMsINC code: MMs01512407
Type: Neutral
Formula: C24H30N2O5
SMILES:   O=C1N(C2CCCCC2)C(=O)c2c1cc(cc2)C(OCC(=O)NCC1CCCCC1)=O
InChI:   InChI=1/C24H30N2O5/c27-21(25-14-16-7-3-1-4-8-16)15-31-24(30)17-11-12-19-20(13-17)23(29)26(22(19)28)18-9-5-2-6-10-18/h11-13,16,18H,1-10,14-15H2,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.9558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -6.13454  SlogP: 3.4686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0170088  Sterimol/B1: 3.04111  Sterimol/B2: 3.67746  Sterimol/B3: 3.69469
  Sterimol/B4: 5.11381  Sterimol/L: 25.0449 
 
 Surface and Volume Properties
  Accessible surface: 740.654  Positive charged surface: 520.082  Negative charged surface: 220.572  Volume: 412.75
  Hydrophobic surface: 591.489  Hydrophilic surface: 149.165
 
 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.