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ENAMINE-ZINC03460494

 MMsINC code: MMs01456936
Type: Neutral
Formula: C20H21N3O3
SMILES:   O=C1N(CC(=O)NC(C)c2ccccc2)C(=O)NC1(C)c1ccccc1
InChI:   InChI=1/C20H21N3O3/c1-14(15-9-5-3-6-10-15)21-17(24)13-23-18(25)20(2,22-19(23)26)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,21,24)(H,22,26)/t14-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.7343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.406 g/mol  logS: -4.39728  SlogP: 2.738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0918495  Sterimol/B1: 1.97403  Sterimol/B2: 4.54447  Sterimol/B3: 5.35625
  Sterimol/B4: 6.12267  Sterimol/L: 16.6796 
 
 Surface and Volume Properties
  Accessible surface: 619.318  Positive charged surface: 356.562  Negative charged surface: 262.756  Volume: 338.625
  Hydrophobic surface: 468.915  Hydrophilic surface: 150.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.