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CHEMDIV-ZINC02497018

 MMsINC code: MMs00881732
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(CCNC(=O)C(NC(=O)C1CCCCC1)C(C)C)C
InChI:   InChI=1/C15H28N2O3/c1-11(2)13(15(19)16-9-10-20-3)17-14(18)12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,19)(H,17,18)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=45.1119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.66359  SlogP: 1.4701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0969041  Sterimol/B1: 2.30033  Sterimol/B2: 2.69896  Sterimol/B3: 5.2348
  Sterimol/B4: 7.06323  Sterimol/L: 16.5412 
 
 Surface and Volume Properties
  Accessible surface: 568.436  Positive charged surface: 459.108  Negative charged surface: 109.328  Volume: 297.75
  Hydrophobic surface: 472.896  Hydrophilic surface: 95.54
 
 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.