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COMGENEX-ZINC04753257

 MMsINC code: MMs01157753
Type: Neutral
Formula: C24H31N3O3
SMILES:   O=C(N(Cc1ccccc1)CC(=O)NCC(=O)Nc1cc(ccc1)C)CCCCC
InChI:   InChI=1/C24H31N3O3/c1-3-4-6-14-24(30)27(17-20-11-7-5-8-12-20)18-23(29)25-16-22(28)26-21-13-9-10-19(2)15-21/h5,7-13,15H,3-4,6,14,16-18H2,1-2H3,(H,25,29)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.2561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.53 g/mol  logS: -5.82273  SlogP: 3.92522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0346459  Sterimol/B1: 2.36372  Sterimol/B2: 3.38892  Sterimol/B3: 4.64416
  Sterimol/B4: 11.247  Sterimol/L: 22.3369 
 
 Surface and Volume Properties
  Accessible surface: 775.457  Positive charged surface: 509.443  Negative charged surface: 266.014  Volume: 419.875
  Hydrophobic surface: 624.939  Hydrophilic surface: 150.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.