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CHEMBRIDGE-ZINC00633181

 MMsINC code: MMs00637061
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.5023 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: 0.0501823  Sterimol/B1: 2.4932  Sterimol/B2: 3.36302  Sterimol/B3: 3.78632
  Sterimol/B4: 9.48368  Sterimol/L: 18.0173 
 
 Surface and Volume Properties
  Accessible surface: 666.542  Positive charged surface: 414.483  Negative charged surface: 252.059  Volume: 370.125
  Hydrophobic surface: 558.371  Hydrophilic surface: 108.171
 
 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.