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CHEMDIV-ZINC06803348

 MMsINC code: MMs01030497
Type: Neutral
Formula: C26H30N2O2
SMILES:   OC(=O)c1n(c2c(cccc2)c1CNCCC=1CCCCC=1)Cc1ccc(cc1)C
InChI:   InChI=1/C26H30N2O2/c1-19-11-13-21(14-12-19)18-28-24-10-6-5-9-22(24)23(25(28)26(29)30)17-27-16-15-20-7-3-2-4-8-20/h5-7,9-14,27H,2-4,8,15-18H2,1H3,(H,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.6298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.538 g/mol  logS: -5.64078  SlogP: 6.20912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047343  Sterimol/B1: 2.15026  Sterimol/B2: 2.81187  Sterimol/B3: 5.77422
  Sterimol/B4: 8.66091  Sterimol/L: 20.5575 
 
 Surface and Volume Properties
  Accessible surface: 723.16  Positive charged surface: 477.424  Negative charged surface: 240.603  Volume: 416.25
  Hydrophobic surface: 612.636  Hydrophilic surface: 110.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.