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PUBCHEM-ZINC05248289

 MMsINC code: MMs03227774
Type: Neutral
Formula: C24H29N3O
SMILES:   OC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)c1ccc(NC)cc1
InChI:   InChI=1/C24H29N3O/c1-25-21-12-6-18(7-13-21)24(28,19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,25,28H,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=175.882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.516 g/mol  logS: -4.34298  SlogP: 4.456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198998  Sterimol/B1: 2.54298  Sterimol/B2: 2.56443  Sterimol/B3: 6.13288
  Sterimol/B4: 11.9015  Sterimol/L: 15.7756 
 
 Surface and Volume Properties
  Accessible surface: 678.77  Positive charged surface: 535.677  Negative charged surface: 143.093  Volume: 391.875
  Hydrophobic surface: 634.552  Hydrophilic surface: 44.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.