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ANALYTICONDISCOVERY-ZINC03838814

 MMsINC code: MMs00026196
Type: Neutral
Formula: C19H33N3O5
SMILES:   OC1C(NC(=O)CC(C)(C)C)C=C(CC1O)C(=O)NC(CC(C)C)C(=O)N
InChI:   InChI=1/C19H33N3O5/c1-10(2)6-13(17(20)26)22-18(27)11-7-12(16(25)14(23)8-11)21-15(24)9-19(3,4)5/h7,10,12-14,16,23,25H,6,8-9H2,1-5H3,(H2,20,26)(H,21,24)(H,22,27)/t12-,13-,14-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=84.5062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.489 g/mol  logS: -3.66954  SlogP: -0.0245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126716  Sterimol/B1: 2.06975  Sterimol/B2: 3.71001  Sterimol/B3: 6.25472
  Sterimol/B4: 8.56978  Sterimol/L: 16.3767 
 
 Surface and Volume Properties
  Accessible surface: 686.37  Positive charged surface: 479.813  Negative charged surface: 206.557  Volume: 374.375
  Hydrophobic surface: 360.409  Hydrophilic surface: 325.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.