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NCID-ZINC04758192

 MMsINC code: MMs02400526
Type: Neutral
Formula: C24H32N2O4
SMILES:   OC(=O)C(NCCCCCCCCNC(C(O)=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H32N2O4/c27-23(28)21(19-13-7-5-8-14-19)25-17-11-3-1-2-4-12-18-26-22(24(29)30)20-15-9-6-10-16-20/h5-10,13-16,21-22,25-26H,1-4,11-12,17-18H2,(H,27,28)(H,29,30)/t21-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.2116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.53 g/mol  logS: -4.48942  SlogP: 4.349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0338163  Sterimol/B1: 2.27611  Sterimol/B2: 3.31873  Sterimol/B3: 5.53559
  Sterimol/B4: 6.02016  Sterimol/L: 24.8441 
 
 Surface and Volume Properties
  Accessible surface: 792.815  Positive charged surface: 524.111  Negative charged surface: 268.704  Volume: 421.75
  Hydrophobic surface: 610.82  Hydrophilic surface: 181.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.