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ASINEX-ZINC04186538

 MMsINC code: MMs00316081
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-/m1/s1

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Potential Energy
Epot(MMFF94)=66.162 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: 0.0887157  Sterimol/B1: 2.74308  Sterimol/B2: 4.16063  Sterimol/B3: 4.98627
  Sterimol/B4: 8.86274  Sterimol/L: 15.0012 
 
 Surface and Volume Properties
  Accessible surface: 653.928  Positive charged surface: 445.762  Negative charged surface: 208.166  Volume: 347.125
  Hydrophobic surface: 361.125  Hydrophilic surface: 292.803
 
 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.