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PUBCHEM-ZINC05817341

 MMsINC code: MMs03396561
Type: Neutral
Formula: C13H25N3O3
SMILES:   O(C(=O)C(NC(=O)N1CCN(CC1)C)CC(C)C)C
InChI:   InChI=1/C13H25N3O3/c1-10(2)9-11(12(17)19-4)14-13(18)16-7-5-15(3)6-8-16/h10-11H,5-9H2,1-4H3,(H,14,18)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=49.3293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.361 g/mol  logS: -1.51266  SlogP: 0.5311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724596  Sterimol/B1: 2.24408  Sterimol/B2: 2.50052  Sterimol/B3: 4.78649
  Sterimol/B4: 6.92353  Sterimol/L: 15.2294 
 
 Surface and Volume Properties
  Accessible surface: 536.822  Positive charged surface: 453.079  Negative charged surface: 83.7422  Volume: 276
  Hydrophobic surface: 436.33  Hydrophilic surface: 100.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03396562
PUBCHEM-ZINC05817341