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CHEMDIV-ZINC02497040

 MMsINC code: MMs00881741
Type: Neutral
Formula: C17H32N2O2
SMILES:   O=C(NC(CC(C)C)C(=O)NC(CC)C)C1CCCCC1
InChI:   InChI=1/C17H32N2O2/c1-5-13(4)18-17(21)15(11-12(2)3)19-16(20)14-9-7-6-8-10-14/h12-15H,5-11H2,1-4H3,(H,18,21)(H,19,20)/t13-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=45.7252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.455 g/mol  logS: -4.20581  SlogP: 3.0123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10525  Sterimol/B1: 2.6272  Sterimol/B2: 4.86112  Sterimol/B3: 5.16528
  Sterimol/B4: 5.46117  Sterimol/L: 16.0084 
 
 Surface and Volume Properties
  Accessible surface: 583.607  Positive charged surface: 438.274  Negative charged surface: 145.333  Volume: 323.375
  Hydrophobic surface: 456.904  Hydrophilic surface: 126.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.