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ASINEX-ZINC04186526

 MMsINC code: MMs00316080
Type: Neutral
Formula: C16H29N3O6
SMILES:   O(C(C)(C)C)C(=O)CC(NC(OC(C)(C)C)=O)C(=O)NC(C(=O)N)C
InChI:   InChI=1/C16H29N3O6/c1-9(12(17)21)18-13(22)10(8-11(20)24-15(2,3)4)19-14(23)25-16(5,6)7/h9-10H,8H2,1-7H3,(H2,17,21)(H,18,22)(H,19,23)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=66.3836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.423 g/mol  logS: -2.87162  SlogP: 0.6015  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111973  Sterimol/B1: 2.28934  Sterimol/B2: 4.53957  Sterimol/B3: 5.11747
  Sterimol/B4: 9.71341  Sterimol/L: 15.1772 
 
 Surface and Volume Properties
  Accessible surface: 665.996  Positive charged surface: 450.406  Negative charged surface: 215.589  Volume: 347.125
  Hydrophobic surface: 363.286  Hydrophilic surface: 302.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.