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CHEMDIV-ZINC04911148

 MMsINC code: MMs00964682
Type: Neutral
Formula: C24H27N3O
SMILES:   O=C(NC1CCCCC1)c1cc(nc2c1cccc2)Nc1ccc(cc1C)C
InChI:   InChI=1/C24H27N3O/c1-16-12-13-21(17(2)14-16)26-23-15-20(19-10-6-7-11-22(19)27-23)24(28)25-18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.0143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.5 g/mol  logS: -6.15666  SlogP: 5.65774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327063  Sterimol/B1: 3.26096  Sterimol/B2: 3.68121  Sterimol/B3: 4.71333
  Sterimol/B4: 7.9349  Sterimol/L: 19.2101 
 
 Surface and Volume Properties
  Accessible surface: 675.151  Positive charged surface: 444.676  Negative charged surface: 224.915  Volume: 383
  Hydrophobic surface: 621.14  Hydrophilic surface: 54.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.