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CHEMBRIDGE-ZINC00633178

 MMsINC code: MMs00637060
Type: Neutral
Formula: C23H24N2O3
SMILES:   O=C1N(CCC(=O)NC(C2CCCC2)c2ccccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C23H24N2O3/c26-20(14-15-25-22(27)18-12-6-7-13-19(18)23(25)28)24-21(17-10-4-5-11-17)16-8-2-1-3-9-16/h1-3,6-9,12-13,17,21H,4-5,10-11,14-15H2,(H,24,26)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.3358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.41627  SlogP: 3.8159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0832322  Sterimol/B1: 2.45241  Sterimol/B2: 3.41997  Sterimol/B3: 4.41226
  Sterimol/B4: 9.52681  Sterimol/L: 16.8064 
 
 Surface and Volume Properties
  Accessible surface: 664.505  Positive charged surface: 411.319  Negative charged surface: 253.186  Volume: 370.625
  Hydrophobic surface: 562.979  Hydrophilic surface: 101.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.