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ENAMINE-ZINC03392888

 MMsINC code: MMs01414837
Type: Neutral
Formula: C19H23N3O5
SMILES:   o1nc(NC(=O)COC(=O)C(NC(=O)c2ccc(cc2)C)C(C)C)cc1C
InChI:   InChI=1/C19H23N3O5/c1-11(2)17(21-18(24)14-7-5-12(3)6-8-14)19(25)26-10-16(23)20-15-9-13(4)27-22-15/h5-9,11,17H,10H2,1-4H3,(H,21,24)(H,20,22,23)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=97.3876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.409 g/mol  logS: -4.41128  SlogP: 2.22774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0211271  Sterimol/B1: 2.95222  Sterimol/B2: 3.13084  Sterimol/B3: 3.41429
  Sterimol/B4: 6.3047  Sterimol/L: 21.9825 
 
 Surface and Volume Properties
  Accessible surface: 664.338  Positive charged surface: 391.859  Negative charged surface: 272.478  Volume: 351.375
  Hydrophobic surface: 491.193  Hydrophilic surface: 173.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.