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ENAMINE-ZINC03071702

 MMsINC code: MMs01289648
Type: Neutral
Formula: C24H28N2O3
SMILES:   O(C)c1cc(O)c(cc1CCCCCC)C(=O)Cc1cn(nc1)-c1ccccc1
InChI:   InChI=1/C24H28N2O3/c1-3-4-5-7-10-19-14-21(23(28)15-24(19)29-2)22(27)13-18-16-25-26(17-18)20-11-8-6-9-12-20/h6,8-9,11-12,14-17,28H,3-5,7,10,13H2,1-2H3

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Potential Energy
Epot(MMFF94)=100.481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.499 g/mol  logS: -6.09807  SlogP: 5.13464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562089  Sterimol/B1: 2.12029  Sterimol/B2: 3.43113  Sterimol/B3: 5.2166
  Sterimol/B4: 10.5668  Sterimol/L: 20.6541 
 
 Surface and Volume Properties
  Accessible surface: 742.126  Positive charged surface: 517.491  Negative charged surface: 224.635  Volume: 400.75
  Hydrophobic surface: 627.723  Hydrophilic surface: 114.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.