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CHEMDIV-ZINC04563827

 MMsINC code: MMs00937615
Type: Neutral
Formula: C26H24N2O2
SMILES:   O=C1N2C(c3c(CC2)cccc3)C(c2c1cccc2)C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C26H24N2O2/c1-17-10-12-18(13-11-17)16-27-25(29)23-21-8-4-5-9-22(21)26(30)28-15-14-19-6-2-3-7-20(19)24(23)28/h2-13,23-24H,14-16H2,1H3,(H,27,29)/t23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=195.47 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -5.84961  SlogP: 4.51009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577723  Sterimol/B1: 2.93759  Sterimol/B2: 4.22372  Sterimol/B3: 6.50508
  Sterimol/B4: 6.63508  Sterimol/L: 16.6501 
 
 Surface and Volume Properties
  Accessible surface: 631.9  Positive charged surface: 377.189  Negative charged surface: 254.711  Volume: 386.5
  Hydrophobic surface: 572.898  Hydrophilic surface: 59.002
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.