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PUBCHEM-ZINC06200885

 MMsINC code: MMs03608391
Type: Neutral
Formula: C14H27N3O4
SMILES:   O1CCN(CC1)CCCNC(=O)NC(C(C)C)C(OC)=O
InChI:   InChI=1/C14H27N3O4/c1-11(2)12(13(18)20-3)16-14(19)15-5-4-6-17-7-9-21-10-8-17/h11-12H,4-10H2,1-3H3,(H2,15,16,19)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=47.1373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.387 g/mol  logS: -1.13439  SlogP: 0.2055  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0442164  Sterimol/B1: 2.97633  Sterimol/B2: 3.85536  Sterimol/B3: 3.88247
  Sterimol/B4: 5.99189  Sterimol/L: 19.0066 
 
 Surface and Volume Properties
  Accessible surface: 584.926  Positive charged surface: 492.425  Negative charged surface: 92.5008  Volume: 301.625
  Hydrophobic surface: 450.978  Hydrophilic surface: 133.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03608392
PUBCHEM-ZINC06200885