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IBS-ZINC04899166

 MMsINC code: MMs01906388
Type: Neutral
Formula: C23H26N2O3
SMILES:   O=C1N(CCCCCCC(=O)Nc2cc(C)c(cc2)C)C(=O)c2c1cccc2
InChI:   InChI=1/C23H26N2O3/c1-16-12-13-18(15-17(16)2)24-21(26)11-5-3-4-8-14-25-22(27)19-9-6-7-10-20(19)23(25)28/h6-7,9-10,12-13,15H,3-5,8,11,14H2,1-2H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.6519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.472 g/mol  logS: -5.88145  SlogP: 4.48864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0200466  Sterimol/B1: 2.90857  Sterimol/B2: 3.63352  Sterimol/B3: 3.9601
  Sterimol/B4: 5.27761  Sterimol/L: 23.5793 
 
 Surface and Volume Properties
  Accessible surface: 711.571  Positive charged surface: 450.908  Negative charged surface: 260.663  Volume: 379
  Hydrophobic surface: 593.841  Hydrophilic surface: 117.73
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.