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ENAMINE-ZINC04515705

 MMsINC code: MMs01544976
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(=O)NC(C)c2ccccc2)C(=O)NC12CCCCC2C
InChI:   InChI=1/C19H25N3O3/c1-13-8-6-7-11-19(13)17(24)22(18(25)21-19)12-16(23)20-14(2)15-9-4-3-5-10-15/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H,20,23)(H,21,25)/t13-,14+,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -3.97508  SlogP: 2.46  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098646  Sterimol/B1: 2.36081  Sterimol/B2: 3.06633  Sterimol/B3: 5.59972
  Sterimol/B4: 6.10648  Sterimol/L: 16.5861 
 
 Surface and Volume Properties
  Accessible surface: 601.457  Positive charged surface: 391.525  Negative charged surface: 209.932  Volume: 334.875
  Hydrophobic surface: 457.064  Hydrophilic surface: 144.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.