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PUBCHEM-ZINC03647704

 MMsINC code: MMs03033275
Type: Neutral
Formula: C16H29N3O6
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)N(C(C(OC)=O)C)C(=O)C(N)(C)C)C
InChI:   InChI=1/C16H29N3O6/c1-9(18-14(23)25-15(3,4)5)11(20)19(10(2)12(21)24-8)13(22)16(6,7)17/h9-10H,17H2,1-8H3,(H,18,23)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=183.321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.423 g/mol  logS: -2.68382  SlogP: 0.5536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0917075  Sterimol/B1: 2.51439  Sterimol/B2: 3.9433  Sterimol/B3: 5.21498
  Sterimol/B4: 5.56318  Sterimol/L: 17.2734 
 
 Surface and Volume Properties
  Accessible surface: 598.663  Positive charged surface: 422.068  Negative charged surface: 176.595  Volume: 338.5
  Hydrophobic surface: 371.293  Hydrophilic surface: 227.37
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.