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CHEMDIV-ZINC03044969

 MMsINC code: MMs00907451
Type: Neutral
Formula: C26H30N2O2
SMILES:   O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NC1CCCCCCC1
InChI:   InChI=1/C26H30N2O2/c1-2-30-21-16-14-19(15-17-21)25-18-23(22-12-8-9-13-24(22)28-25)26(29)27-20-10-6-4-3-5-7-11-20/h8-9,12-18,20H,2-7,10-11H2,1H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.538 g/mol  logS: -7.3939  SlogP: 6.1432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386262  Sterimol/B1: 2.56751  Sterimol/B2: 3.84163  Sterimol/B3: 3.99844
  Sterimol/B4: 12.0767  Sterimol/L: 18.4525 
 
 Surface and Volume Properties
  Accessible surface: 714.34  Positive charged surface: 457.081  Negative charged surface: 245.88  Volume: 410.75
  Hydrophobic surface: 639.569  Hydrophilic surface: 74.771
 
 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.