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CHEMBRIDGE-ZINC04145927

 MMsINC code: MMs00763433
Type: Neutral
Formula: C24H26N2O3
SMILES:   O=C1N(C(=O)C2C1CC(CC2)C)c1cc(ccc1)C(=O)Nc1cccc(C)c1C
InChI:   InChI=1/C24H26N2O3/c1-14-10-11-19-20(12-14)24(29)26(23(19)28)18-8-5-7-17(13-18)22(27)25-21-9-4-6-15(2)16(21)3/h4-9,13-14,19-20H,10-12H2,1-3H3,(H,25,27)/t14-,19+,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.91 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -6.23251  SlogP: 4.48134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.024103  Sterimol/B1: 2.77693  Sterimol/B2: 3.84881  Sterimol/B3: 4.72038
  Sterimol/B4: 5.93044  Sterimol/L: 19.9056 
 
 Surface and Volume Properties
  Accessible surface: 651.881  Positive charged surface: 396.027  Negative charged surface: 255.853  Volume: 380.5
  Hydrophobic surface: 541.927  Hydrophilic surface: 109.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.