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CHEMDIV-ZINC02455958

 MMsINC code: MMs00875988
Type: Neutral
Formula: C24H26N2O2
SMILES:   O=C1N2C(c3c(CC2)cccc3)C(c2c1cccc2)C(=O)NC1CCCCC1
InChI:   InChI=1/C24H26N2O2/c27-23(25-17-9-2-1-3-10-17)21-19-12-6-7-13-20(19)24(28)26-15-14-16-8-4-5-11-18(16)22(21)26/h4-8,11-13,17,21-22H,1-3,9-10,14-15H2,(H,25,27)/t21-,22+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -5.07893  SlogP: 4.06777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101791  Sterimol/B1: 2.29364  Sterimol/B2: 2.39533  Sterimol/B3: 5.3902
  Sterimol/B4: 10.9215  Sterimol/L: 15.1776 
 
 Surface and Volume Properties
  Accessible surface: 617.36  Positive charged surface: 402.029  Negative charged surface: 215.331  Volume: 370.5
  Hydrophobic surface: 557.331  Hydrophilic surface: 60.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.