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AURORAFEINCHEMIE-ZINC02425725

 MMsINC code: MMs00453386
Type: Neutral
Formula: C14H27N3O4
SMILES:   O1CCN(CC1)CCNC(=O)NC(C(CC)C)C(OC)=O
InChI:   InChI=1/C14H27N3O4/c1-4-11(2)12(13(18)20-3)16-14(19)15-5-6-17-7-9-21-10-8-17/h11-12H,4-10H2,1-3H3,(H2,15,16,19)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=49.5302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.387 g/mol  logS: -1.44784  SlogP: 0.2055  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0640822  Sterimol/B1: 2.02328  Sterimol/B2: 2.98076  Sterimol/B3: 4.36182
  Sterimol/B4: 7.74502  Sterimol/L: 17.5129 
 
 Surface and Volume Properties
  Accessible surface: 584.351  Positive charged surface: 478.436  Negative charged surface: 105.915  Volume: 302.75
  Hydrophobic surface: 439.751  Hydrophilic surface: 144.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00453387
AURORAFEINCHEMIE-ZINC02425725