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CHEMDIV-ZINC05083691

MMsINC code: MMs00988542

Type: Neutral
Formula: C24H24N2O3
SMILES:   O1CCOc2c1cc1c(ncc(C(=O)c3ccc(cc3)CC)c1N1CCCC1)c2
InChI:   InChI=1/C24H24N2O3/c1-2-16-5-7-17(8-6-16)24(27)19-15-25-20-14-22-21(28-11-12-29-22)13-18(20)23(19)26-9-3-4-10-26/h5-8,13-15H,2-4,9-12H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=197.924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.76476  SlogP: 4.39957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100272  Sterimol/B1: 2.13427  Sterimol/B2: 3.03903  Sterimol/B3: 6.37075
  Sterimol/B4: 7.42634  Sterimol/L: 17.8029 
 
 Surface and Volume Properties
  Accessible surface: 630.933  Positive charged surface: 460.994  Negative charged surface: 165.707  Volume: 376
  Hydrophobic surface: 535.326  Hydrophilic surface: 95.607
 
 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.