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PUBCHEM-ZINC05576161

 MMsINC code: MMs03311967
Type: Neutral
Formula: C23H26N2O3
SMILES:   O1C2CC(=O)N3C4C5(CCN6CC(C(CC56OCC)C24)=CC1)c1c3cccc1
InChI:   InChI=1/C23H26N2O3/c1-2-28-23-12-15-14-7-10-27-18-11-19(26)25-17-6-4-3-5-16(17)22(23,21(25)20(15)18)8-9-24(23)13-14/h3-7,15,18,20-21H,2,8-13H2,1H3/t15-,18-,20-,21-,22-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.472 g/mol  logS: -3.35819  SlogP: 2.4567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239721  Sterimol/B1: 2.35952  Sterimol/B2: 3.37671  Sterimol/B3: 5.60827
  Sterimol/B4: 8.20548  Sterimol/L: 12.7839 
 
 Surface and Volume Properties
  Accessible surface: 544.179  Positive charged surface: 399.288  Negative charged surface: 144.891  Volume: 355
  Hydrophobic surface: 445.603  Hydrophilic surface: 98.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.