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IBS-ZINC02313815

 MMsINC code: MMs01830095
Type: Neutral
Formula: C24H22N2O3
SMILES:   O(C)c1ccc(cc1)C1N(C(=O)CC1C(=O)Nc1ccccc1)c1ccccc1
InChI:   InChI=1/C24H22N2O3/c1-29-20-14-12-17(13-15-20)23-21(24(28)25-18-8-4-2-5-9-18)16-22(27)26(23)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3,(H,25,28)/t21-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -5.08293  SlogP: 4.5236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189463  Sterimol/B1: 2.28621  Sterimol/B2: 4.05395  Sterimol/B3: 4.05999
  Sterimol/B4: 10.1374  Sterimol/L: 14.8034 
 
 Surface and Volume Properties
  Accessible surface: 606.529  Positive charged surface: 387.131  Negative charged surface: 219.398  Volume: 371
  Hydrophobic surface: 542.665  Hydrophilic surface: 63.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.