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CHEMBRIDGE-ZINC02498369

 MMsINC code: MMs00711734
Type: Neutral
Formula: C26H31NO2
SMILES:   O=C(c1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1
InChI:   InChI=1/C26H31NO2/c28-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)26(29)27(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=353.384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.539 g/mol  logS: -6.44011  SlogP: 6.0252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264435  Sterimol/B1: 2.42295  Sterimol/B2: 2.75205  Sterimol/B3: 6.05564
  Sterimol/B4: 9.31362  Sterimol/L: 14.3872 
 
 Surface and Volume Properties
  Accessible surface: 627.83  Positive charged surface: 422.717  Negative charged surface: 205.113  Volume: 394.375
  Hydrophobic surface: 601.025  Hydrophilic surface: 26.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.