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ENAMINE-ZINC05422981

 MMsINC code: MMs01611228
Type: Neutral
Formula: C24H27N3O3
SMILES:   O=C1N(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N(C)C12CCCCC2
InChI:   InChI=1/C24H27N3O3/c1-26-23(30)27(22(29)24(26)15-9-4-10-16-24)17-20(28)25-21(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,21H,4,9-10,15-17H2,1H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -5.10801  SlogP: 3.5846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0892805  Sterimol/B1: 2.59517  Sterimol/B2: 2.91913  Sterimol/B3: 4.79583
  Sterimol/B4: 8.49377  Sterimol/L: 17.9241 
 
 Surface and Volume Properties
  Accessible surface: 674.128  Positive charged surface: 425.809  Negative charged surface: 248.319  Volume: 394.375
  Hydrophobic surface: 584.184  Hydrophilic surface: 89.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.