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NCID-ZINC01576655

 MMsINC code: MMs02235194
Type: Neutral
Formula: C15H23N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)N)CNOCc1ccccc1
InChI:   InChI=1/C15H23N3O4/c1-15(2,3)22-14(20)18-12(13(16)19)9-17-21-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H2,16,19)(H,18,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=67.9579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.366 g/mol  logS: -2.70795  SlogP: 1.3528  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0575895  Sterimol/B1: 3.50444  Sterimol/B2: 3.74769  Sterimol/B3: 4.66651
  Sterimol/B4: 6.52127  Sterimol/L: 17.9292 
 
 Surface and Volume Properties
  Accessible surface: 613.108  Positive charged surface: 406.892  Negative charged surface: 206.216  Volume: 304.75
  Hydrophobic surface: 405.843  Hydrophilic surface: 207.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.