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PUBCHEM-ZINC06933993

 MMsINC code: MMs03907122
Type: Neutral
Formula: C14H27N3O4
SMILES:   O1CCN(CC1)CCCNC(=O)NC(C(CC)C)C(O)=O
InChI:   InChI=1/C14H27N3O4/c1-3-11(2)12(13(18)19)16-14(20)15-5-4-6-17-7-9-21-10-8-17/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=37.1324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.387 g/mol  logS: -1.23728  SlogP: 0.5072  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0446175  Sterimol/B1: 2.53157  Sterimol/B2: 3.30307  Sterimol/B3: 4.23405
  Sterimol/B4: 5.27202  Sterimol/L: 19.266 
 
 Surface and Volume Properties
  Accessible surface: 580.092  Positive charged surface: 461.809  Negative charged surface: 118.284  Volume: 299.5
  Hydrophobic surface: 397.324  Hydrophilic surface: 182.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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: no related molecules available.