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CHEMDIV-ZINC04593067

 MMsINC code: MMs00938690
Type: Neutral
Formula: C24H24N2O3
SMILES:   O=C1N(C(=O)C2C1CC(=CC2)C)c1cc(ccc1)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C24H24N2O3/c1-15-11-12-20-21(13-15)24(29)26(23(20)28)19-10-6-9-18(14-19)22(27)25-16(2)17-7-4-3-5-8-17/h3-11,14,16,20-21H,12-13H2,1-2H3,(H,25,27)/t16-,20-,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.7611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -4.52023  SlogP: 4.1188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0761476  Sterimol/B1: 2.25598  Sterimol/B2: 3.09821  Sterimol/B3: 6.41206
  Sterimol/B4: 6.5767  Sterimol/L: 18.8805 
 
 Surface and Volume Properties
  Accessible surface: 663.157  Positive charged surface: 387.272  Negative charged surface: 275.885  Volume: 379.5
  Hydrophobic surface: 539.068  Hydrophilic surface: 124.089
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.