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CHEMDIV-ZINC02929458

 MMsINC code: MMs00893406
Type: Neutral
Formula: C23H30N2O2
SMILES:   O=C(C)c1cc(n(CC(=O)NC2CCCCCCC2)c1C)-c1ccccc1
InChI:   InChI=1/C23H30N2O2/c1-17-21(18(2)26)15-22(19-11-7-6-8-12-19)25(17)16-23(27)24-20-13-9-4-3-5-10-14-20/h6-8,11-12,15,20H,3-5,9-10,13-14,16H2,1-2H3,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.505 g/mol  logS: -5.4171  SlogP: 5.16162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112405  Sterimol/B1: 2.71948  Sterimol/B2: 2.75517  Sterimol/B3: 5.3941
  Sterimol/B4: 10.1683  Sterimol/L: 15.6045 
 
 Surface and Volume Properties
  Accessible surface: 636.04  Positive charged surface: 409.639  Negative charged surface: 226.401  Volume: 379.5
  Hydrophobic surface: 568.492  Hydrophilic surface: 67.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.