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ENAMINE-ZINC06943770

 MMsINC code: MMs01715605
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(CC)c1ccccc1NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O3/c1-2-29-22-16-10-9-15-20(22)25-23(27)17-21(18-11-5-3-6-12-18)26-24(28)19-13-7-4-8-14-19/h3-16,21H,2,17H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.7717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.55485  SlogP: 4.6807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664951  Sterimol/B1: 3.42055  Sterimol/B2: 4.20241  Sterimol/B3: 5.05295
  Sterimol/B4: 8.41647  Sterimol/L: 16.7502 
 
 Surface and Volume Properties
  Accessible surface: 705.44  Positive charged surface: 424.487  Negative charged surface: 280.954  Volume: 388.75
  Hydrophobic surface: 621.798  Hydrophilic surface: 83.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.