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NCID-ZINC01634814

 MMsINC code: MMs02278758
Type: Neutral
Formula: C14H27N3O5
SMILES:   O(C(C)(C)C)C(=O)NCC(C(=O)N)CNC(OC(C)(C)C)=O
InChI:   InChI=1/C14H27N3O5/c1-13(2,3)21-11(19)16-7-9(10(15)18)8-17-12(20)22-14(4,5)6/h9H,7-8H2,1-6H3,(H2,15,18)(H,16,19)(H,17,20)

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Potential Energy
Epot(MMFF94)=19.2067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.386 g/mol  logS: -2.08762  SlogP: 1.1373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527759  Sterimol/B1: 2.37561  Sterimol/B2: 2.89095  Sterimol/B3: 3.90113
  Sterimol/B4: 8.87169  Sterimol/L: 17.5021 
 
 Surface and Volume Properties
  Accessible surface: 616.449  Positive charged surface: 435.618  Negative charged surface: 180.831  Volume: 313
  Hydrophobic surface: 331.753  Hydrophilic surface: 284.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.