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ENAMINE-ZINC03400361

MMsINC code: MMs01419668

Type: Neutral
Formula: C19H22N2O3
SMILES:   O(C(=O)c1cc(N(C)C)ccc1)CC(=O)NC(C)c1ccccc1
InChI:   InChI=1/C19H22N2O3/c1-14(15-8-5-4-6-9-15)20-18(22)13-24-19(23)16-10-7-11-17(12-16)21(2)3/h4-12,14H,13H2,1-3H3,(H,20,22)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=92.4967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.396 g/mol  logS: -3.9617  SlogP: 2.8823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262168  Sterimol/B1: 2.2144  Sterimol/B2: 3.25771  Sterimol/B3: 5.25898
  Sterimol/B4: 5.82394  Sterimol/L: 20.0673 
 
 Surface and Volume Properties
  Accessible surface: 637.084  Positive charged surface: 419.846  Negative charged surface: 217.238  Volume: 330.5
  Hydrophobic surface: 536.64  Hydrophilic surface: 100.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.