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PUBCHEM-ZINC04186563

 MMsINC code: MMs03097213
Type: Neutral
Formula: C24H30N4O4
SMILES:   O(C(=O)CNC(=O)Nc1ccc(N2CCN(CC2)C(=O)Cc2cc(ccc2)C)cc1)CC
InChI:   InChI=1/C24H30N4O4/c1-3-32-23(30)17-25-24(31)26-20-7-9-21(10-8-20)27-11-13-28(14-12-27)22(29)16-19-6-4-5-18(2)15-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H2,25,26,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.528 g/mol  logS: -4.60969  SlogP: 2.57089  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0255765  Sterimol/B1: 2.54749  Sterimol/B2: 4.1798  Sterimol/B3: 4.90382
  Sterimol/B4: 5.10809  Sterimol/L: 27.0579 
 
 Surface and Volume Properties
  Accessible surface: 791.23  Positive charged surface: 556.446  Negative charged surface: 234.784  Volume: 428.5
  Hydrophobic surface: 616.639  Hydrophilic surface: 174.591
 
 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.