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ENAMINE-ZINC05210929

 MMsINC code: MMs01597391
Type: Neutral
Formula: C19H25N3O3
SMILES:   O(C(=O)c1c(n(nc1C)-c1ccccc1)C)CC(=O)NC(C(C)C)C
InChI:   InChI=1/C19H25N3O3/c1-12(2)13(3)20-17(23)11-25-19(24)18-14(4)21-22(15(18)5)16-9-7-6-8-10-16/h6-10,12-13H,11H2,1-5H3,(H,20,23)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=87.4039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -3.77783  SlogP: 2.80664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052362  Sterimol/B1: 2.28696  Sterimol/B2: 3.85657  Sterimol/B3: 4.42937
  Sterimol/B4: 7.72003  Sterimol/L: 19.9179 
 
 Surface and Volume Properties
  Accessible surface: 659.087  Positive charged surface: 398.648  Negative charged surface: 260.438  Volume: 346.5
  Hydrophobic surface: 510.255  Hydrophilic surface: 148.832
 
 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.