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CHEMBLOCK-ZINC01436556

 MMsINC code: MMs00525141
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(C)c1ccc(NC(=O)C(NC(=O)C(c2ccccc2)c2ccccc2)C)cc1
InChI:   InChI=1/C24H24N2O3/c1-17(23(27)26-20-13-15-21(29-2)16-14-20)25-24(28)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,25,28)(H,26,27)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.60896  SlogP: 3.9705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123066  Sterimol/B1: 2.11379  Sterimol/B2: 3.94937  Sterimol/B3: 6.78792
  Sterimol/B4: 7.01927  Sterimol/L: 19.4636 
 
 Surface and Volume Properties
  Accessible surface: 694.788  Positive charged surface: 428.077  Negative charged surface: 266.711  Volume: 386.875
  Hydrophobic surface: 606.593  Hydrophilic surface: 88.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.