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BACHEM-ZINC01640079

 MMsINC code: MMs00482484
Type: Neutral
Formula: C15H30N2O4
SMILES:   O(C(C)(C)C)C(=O)C(N)CCCCNC(OC(C)(C)C)=O
InChI:   InChI=1/C15H30N2O4/c1-14(2,3)20-12(18)11(16)9-7-8-10-17-13(19)21-15(4,5)6/h11H,7-10,16H2,1-6H3,(H,17,19)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=53.3935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.415 g/mol  logS: -2.50803  SlogP: 2.3504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351475  Sterimol/B1: 3.22361  Sterimol/B2: 3.69641  Sterimol/B3: 4.36821
  Sterimol/B4: 4.60259  Sterimol/L: 19.7547 
 
 Surface and Volume Properties
  Accessible surface: 630.135  Positive charged surface: 468.559  Negative charged surface: 161.576  Volume: 315.625
  Hydrophobic surface: 404.752  Hydrophilic surface: 225.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.