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ENAMINE-ZINC00364459

 MMsINC code: MMs01229073
Type: Neutral
Formula: C19H21NO3
SMILES:   O(C)c1cc(cc(OC)c1)C(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C19H21NO3/c1-22-15-10-14(11-16(12-15)23-2)19(21)20-18-9-5-7-13-6-3-4-8-17(13)18/h3-4,6,8,10-12,18H,5,7,9H2,1-2H3,(H,20,21)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.9851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.381 g/mol  logS: -4.30053  SlogP: 3.60667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0891615  Sterimol/B1: 2.7238  Sterimol/B2: 3.39829  Sterimol/B3: 4.6987
  Sterimol/B4: 6.01404  Sterimol/L: 15.666 
 
 Surface and Volume Properties
  Accessible surface: 571.331  Positive charged surface: 403.345  Negative charged surface: 167.985  Volume: 309.5
  Hydrophobic surface: 520.673  Hydrophilic surface: 50.658
 
 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.