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CHEMDIV-ZINC03655941

 MMsINC code: MMs00915026
Type: Neutral
Formula: C26H31NO2
SMILES:   O(CCCn1cc(c2c1cccc2)C(=O)C1CCCCC1)c1cc(ccc1C)C
InChI:   InChI=1/C26H31NO2/c1-19-13-14-20(2)25(17-19)29-16-8-15-27-18-23(22-11-6-7-12-24(22)27)26(28)21-9-4-3-5-10-21/h6-7,11-14,17-18,21H,3-5,8-10,15-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.1811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.539 g/mol  logS: -6.4091  SlogP: 6.75664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913716  Sterimol/B1: 2.19773  Sterimol/B2: 4.01128  Sterimol/B3: 7.56844
  Sterimol/B4: 8.93674  Sterimol/L: 18.7486 
 
 Surface and Volume Properties
  Accessible surface: 733.51  Positive charged surface: 484.073  Negative charged surface: 243.406  Volume: 410.75
  Hydrophobic surface: 706.058  Hydrophilic surface: 27.452
 
 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.