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PUBCHEM-ZINC03625793

 MMsINC code: MMs03025753
Type: Neutral
Formula: C23H28N2O2
SMILES:   O(C)c1ccc(cc1)C(N1CCc2c1cccc2)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H28N2O2/c1-27-20-13-11-18(12-14-20)22(23(26)24-19-8-3-2-4-9-19)25-16-15-17-7-5-6-10-21(17)25/h5-7,10-14,19,22H,2-4,8-9,15-16H2,1H3,(H,24,26)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.489 g/mol  logS: -4.95815  SlogP: 4.34337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921288  Sterimol/B1: 2.48056  Sterimol/B2: 3.37337  Sterimol/B3: 4.52588
  Sterimol/B4: 11.298  Sterimol/L: 16.2453 
 
 Surface and Volume Properties
  Accessible surface: 644.707  Positive charged surface: 473.933  Negative charged surface: 170.774  Volume: 374.25
  Hydrophobic surface: 603.188  Hydrophilic surface: 41.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.