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PUBCHEM-ZINC04679077

 MMsINC code: MMs03154206
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(CCNC(=O)CCC(=O)NC1CCCC(C)C1C)C
InChI:   InChI=1/C15H28N2O3/c1-11-5-4-6-13(12(11)2)17-15(19)8-7-14(18)16-9-10-20-3/h11-13H,4-10H2,1-3H3,(H,16,18)(H,17,19)/t11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=35.5196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.03029  SlogP: 1.4701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0406056  Sterimol/B1: 2.42057  Sterimol/B2: 3.17284  Sterimol/B3: 4.67377
  Sterimol/B4: 4.77988  Sterimol/L: 19.3476 
 
 Surface and Volume Properties
  Accessible surface: 585.322  Positive charged surface: 473.226  Negative charged surface: 112.095  Volume: 297.875
  Hydrophobic surface: 457.263  Hydrophilic surface: 128.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.