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NCID-ZINC01634813

 MMsINC code: MMs02278757
Type: Neutral
Formula: C14H25N3O4
SMILES:   O(C(C)(C)C)C(=O)NCC(CNC(OC(C)(C)C)=O)C#N
InChI:   InChI=1/C14H25N3O4/c1-13(2,3)20-11(18)16-8-10(7-15)9-17-12(19)21-14(4,5)6/h10H,8-9H2,1-6H3,(H,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=22.2727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.371 g/mol  logS: -2.18643  SlogP: 2.17558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379788  Sterimol/B1: 2.03681  Sterimol/B2: 2.83775  Sterimol/B3: 3.92454
  Sterimol/B4: 6.43875  Sterimol/L: 19.2334 
 
 Surface and Volume Properties
  Accessible surface: 598.813  Positive charged surface: 403.469  Negative charged surface: 195.344  Volume: 301.25
  Hydrophobic surface: 344.374  Hydrophilic surface: 254.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.