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PUBCHEM-ZINC05962839

 MMsINC code: MMs03463126
Type: Neutral
Formula: C15H31N3O5
SMILES:   OC(C(CC(C)C)C(=O)NC(C(C)(C)C)C(=O)NC)C(O)NO
InChI:   InChI=1/C15H31N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,13,18-19,21,23H,7H2,1-6H3,(H,16,22)(H,17,20)/t9-,10+,11-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=92.1164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.429 g/mol  logS: -1.46795  SlogP: -0.4163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168586  Sterimol/B1: 2.85382  Sterimol/B2: 3.03814  Sterimol/B3: 5.08405
  Sterimol/B4: 7.67368  Sterimol/L: 14.8525 
 
 Surface and Volume Properties
  Accessible surface: 593.732  Positive charged surface: 420.798  Negative charged surface: 172.934  Volume: 330.375
  Hydrophobic surface: 319.024  Hydrophilic surface: 274.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.