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ENAMINE-ZINC03370061

 MMsINC code: MMs01401240
Type: Neutral
Formula: C20H27N3O3
SMILES:   O=C1N(CC(=O)NC(C)c2ccccc2)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C20H27N3O3/c1-15(16-10-6-5-7-11-16)21-17(24)14-23-18(25)20(22-19(23)26)12-8-3-2-4-9-13-20/h5-7,10-11,15H,2-4,8-9,12-14H2,1H3,(H,21,24)(H,22,26)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.5525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.454 g/mol  logS: -4.80375  SlogP: 2.9942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651643  Sterimol/B1: 1.969  Sterimol/B2: 3.72354  Sterimol/B3: 4.54896
  Sterimol/B4: 6.8417  Sterimol/L: 18.7455 
 
 Surface and Volume Properties
  Accessible surface: 622.036  Positive charged surface: 395.905  Negative charged surface: 226.132  Volume: 349
  Hydrophobic surface: 488.332  Hydrophilic surface: 133.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.