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CHEMDIV-ZINC04925287

MMsINC code: MMs00968720

Type: Neutral
Formula: C24H27N3O4
SMILES:   O(CC(=O)N1CCN(CC1)c1ccc(OC)cc1)C1=CC(=O)N(c2c1cccc2)CC
InChI:   InChI=1/C24H27N3O4/c1-3-27-21-7-5-4-6-20(21)22(16-23(27)28)31-17-24(29)26-14-12-25(13-15-26)18-8-10-19(30-2)11-9-18/h4-11,16H,3,12-15,17H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=177.987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.497 g/mol  logS: -4.51037  SlogP: 2.768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046694  Sterimol/B1: 2.14559  Sterimol/B2: 3.21257  Sterimol/B3: 5.37264
  Sterimol/B4: 8.04517  Sterimol/L: 21.1711 
 
 Surface and Volume Properties
  Accessible surface: 712.73  Positive charged surface: 491.983  Negative charged surface: 220.747  Volume: 406.625
  Hydrophobic surface: 595.626  Hydrophilic surface: 117.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.