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CHEMDIV-ZINC03048287

 MMsINC code: MMs00908098
Type: Neutral
Formula: C23H26N2O2
SMILES:   O=C1N(Cc2ccc(cc2)C)C(c2c1cccc2)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H26N2O2/c1-16-11-13-17(14-12-16)15-25-21(19-9-5-6-10-20(19)23(25)27)22(26)24-18-7-3-2-4-8-18/h5-6,9-14,18,21H,2-4,7-8,15H2,1H3,(H,24,26)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.3986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -5.43295  SlogP: 4.50292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0974505  Sterimol/B1: 2.66544  Sterimol/B2: 2.69881  Sterimol/B3: 5.29401
  Sterimol/B4: 9.26677  Sterimol/L: 17.3628 
 
 Surface and Volume Properties
  Accessible surface: 646.721  Positive charged surface: 415.954  Negative charged surface: 230.767  Volume: 368.875
  Hydrophobic surface: 586.587  Hydrophilic surface: 60.134
 
 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.