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CHEMDIV-ZINC02952359

 MMsINC code: MMs00897425
Type: Neutral
Formula: C24H25N3O3
SMILES:   O=C1N(CCCCC(=O)N2CCC(=CC2)c2ccccc2)C(=O)Nc2c1cccc2
InChI:   InChI=1/C24H25N3O3/c28-22(26-16-13-19(14-17-26)18-8-2-1-3-9-18)12-6-7-15-27-23(29)20-10-4-5-11-21(20)25-24(27)30/h1-5,8-11,13H,6-7,12,14-17H2,(H,25,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.9825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.482 g/mol  logS: -4.49802  SlogP: 4.1605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438096  Sterimol/B1: 2.71877  Sterimol/B2: 3.60778  Sterimol/B3: 3.65085
  Sterimol/B4: 7.01943  Sterimol/L: 21.4346 
 
 Surface and Volume Properties
  Accessible surface: 703.923  Positive charged surface: 456.462  Negative charged surface: 247.462  Volume: 391
  Hydrophobic surface: 568.003  Hydrophilic surface: 135.92
 
 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.