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CHEMBRIDGE-ZINC02089008

 MMsINC code: MMs00702148
Type: Neutral
Formula: C26H30N2O2
SMILES:   O(C(C)C)c1ccccc1-c1nc2c(cccc2)c(c1)C(=O)NC1CCCCCC1
InChI:   InChI=1/C26H30N2O2/c1-18(2)30-25-16-10-8-14-21(25)24-17-22(20-13-7-9-15-23(20)28-24)26(29)27-19-11-5-3-4-6-12-19/h7-10,13-19H,3-6,11-12H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.538 g/mol  logS: -7.20589  SlogP: 6.1416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349009  Sterimol/B1: 2.98257  Sterimol/B2: 4.2954  Sterimol/B3: 5.99565
  Sterimol/B4: 7.30433  Sterimol/L: 18.5615 
 
 Surface and Volume Properties
  Accessible surface: 705.14  Positive charged surface: 450.966  Negative charged surface: 242.243  Volume: 413
  Hydrophobic surface: 624.796  Hydrophilic surface: 80.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.