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ENAMINE-ZINC02617812

 MMsINC code: MMs01253517
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(NCC(=O)NCCCc1ccccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C24H24N2O2/c27-23(25-17-7-10-19-8-3-1-4-9-19)18-26-24(28)22-15-13-21(14-16-22)20-11-5-2-6-12-20/h1-6,8-9,11-16H,7,10,17-18H2,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.5488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -6.1611  SlogP: 3.83237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132995  Sterimol/B1: 3.61719  Sterimol/B2: 3.61799  Sterimol/B3: 4.41345
  Sterimol/B4: 4.97923  Sterimol/L: 25.0091 
 
 Surface and Volume Properties
  Accessible surface: 718.16  Positive charged surface: 409.85  Negative charged surface: 295.565  Volume: 383
  Hydrophobic surface: 619.674  Hydrophilic surface: 98.486
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.