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CHEMBLOCK-ZINC01022868

 MMsINC code: MMs00510400
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(C(=O)NC(Cc1ccccc1)C(=O)Nc1cc(ccc1C)C)c1ccccc1
InChI:   InChI=1/C24H24N2O3/c1-17-13-14-18(2)21(15-17)25-23(27)22(16-19-9-5-3-6-10-19)26-24(28)29-20-11-7-4-8-12-20/h3-15,22H,16H2,1-2H3,(H,25,27)(H,26,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -6.03245  SlogP: 4.64181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772791  Sterimol/B1: 2.391  Sterimol/B2: 2.39514  Sterimol/B3: 5.60784
  Sterimol/B4: 8.25473  Sterimol/L: 18.3861 
 
 Surface and Volume Properties
  Accessible surface: 662.262  Positive charged surface: 386.667  Negative charged surface: 275.595  Volume: 384
  Hydrophobic surface: 597.64  Hydrophilic surface: 64.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.