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CHEMDIV-ZINC02724208

 MMsINC code: MMs00886906
Type: Neutral
Formula: C24H22N2O3
SMILES:   O(C)c1ccc(cc1)C(=O)N1CC(=O)Nc2c(cc(cc2)C)C1c1ccccc1
InChI:   InChI=1/C24H22N2O3/c1-16-8-13-21-20(14-16)23(17-6-4-3-5-7-17)26(15-22(27)25-21)24(28)18-9-11-19(29-2)12-10-18/h3-14,23H,15H2,1-2H3,(H,25,27)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.04 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -5.83605  SlogP: 4.28302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.300701  Sterimol/B1: 2.31958  Sterimol/B2: 3.9359  Sterimol/B3: 6.74809
  Sterimol/B4: 8.62018  Sterimol/L: 15.0402 
 
 Surface and Volume Properties
  Accessible surface: 612.627  Positive charged surface: 367.916  Negative charged surface: 244.711  Volume: 371
  Hydrophobic surface: 505.771  Hydrophilic surface: 106.856
 
 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.