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NCID-ZINC05760278

 MMsINC code: MMs02495952
Type: Neutral
Formula: C24H26N4O4
SMILES:   O=C1N(Cc2ccccc2)C(CC1)C(=O)NC(=O)NC1N(Cc2ccccc2)C(=O)CC1
InChI:   InChI=1/C24H26N4O4/c29-21-13-11-19(27(21)15-17-7-3-1-4-8-17)23(31)26-24(32)25-20-12-14-22(30)28(20)16-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H2,25,26,31,32)/t19-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.9028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.496 g/mol  logS: -4.00639  SlogP: 2.6849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100465  Sterimol/B1: 3.00236  Sterimol/B2: 3.79429  Sterimol/B3: 5.73725
  Sterimol/B4: 7.52454  Sterimol/L: 19.7396 
 
 Surface and Volume Properties
  Accessible surface: 727.622  Positive charged surface: 442.981  Negative charged surface: 284.641  Volume: 414.75
  Hydrophobic surface: 582.938  Hydrophilic surface: 144.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.