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CHEMDIV-ZINC03665871

 MMsINC code: MMs00916170
Type: Neutral
Formula: C23H21N3O3
SMILES:   OC1(N(c2ccccc2)C(=O)Nc2c1cccc2)C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C23H21N3O3/c1-16-11-13-17(14-12-16)15-24-21(27)23(29)19-9-5-6-10-20(19)25-22(28)26(23)18-7-3-2-4-8-18/h2-14,29H,15H2,1H3,(H,24,27)(H,25,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.5556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.439 g/mol  logS: -5.53627  SlogP: 4.08652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171871  Sterimol/B1: 3.59188  Sterimol/B2: 5.21592  Sterimol/B3: 5.41216
  Sterimol/B4: 8.20684  Sterimol/L: 15.6539 
 
 Surface and Volume Properties
  Accessible surface: 632.557  Positive charged surface: 356.027  Negative charged surface: 276.53  Volume: 371.75
  Hydrophobic surface: 520.227  Hydrophilic surface: 112.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.