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PUBCHEM-ZINC06580842

 MMsINC code: MMs03807317
Type: Neutral
Formula: C26H32N2O2
SMILES:   OC1C(N(CC2CC2)C(=O)N(CC2CC2)C1Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C26H32N2O2/c29-25-23(15-19-7-3-1-4-8-19)27(17-21-11-12-21)26(30)28(18-22-13-14-22)24(25)16-20-9-5-2-6-10-20/h1-10,21-25,29H,11-18H2/t23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.554 g/mol  logS: -4.25481  SlogP: 4.12744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29906  Sterimol/B1: 2.39054  Sterimol/B2: 4.73364  Sterimol/B3: 5.28031
  Sterimol/B4: 9.77023  Sterimol/L: 14.4244 
 
 Surface and Volume Properties
  Accessible surface: 689.836  Positive charged surface: 441.036  Negative charged surface: 248.8  Volume: 423.875
  Hydrophobic surface: 571.107  Hydrophilic surface: 118.729
 
 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.