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ENAMINE-ZINC03531990

 MMsINC code: MMs01494231
Type: Neutral
Formula: C19H31N3O3
SMILES:   O=C1N(CC(=O)NC2CCCCCCC2)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C19H31N3O3/c23-16(20-15-11-7-2-1-3-8-12-15)13-22-18(24)17(21-19(22)25)14-9-5-4-6-10-14/h14-15,17H,1-13H2,(H,20,23)(H,21,25)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=76.9163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.475 g/mol  logS: -4.88301  SlogP: 2.7162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602327  Sterimol/B1: 2.48924  Sterimol/B2: 4.22245  Sterimol/B3: 4.95075
  Sterimol/B4: 5.40007  Sterimol/L: 18.3222 
 
 Surface and Volume Properties
  Accessible surface: 617.414  Positive charged surface: 458.843  Negative charged surface: 158.571  Volume: 344.875
  Hydrophobic surface: 487.048  Hydrophilic surface: 130.366
 
 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.