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ENAMINE-ZINC03463591

 MMsINC code: MMs01458398
Type: Neutral
Formula: C19H31N3O3
SMILES:   O=C1N(CC(=O)N(C)C2CCCCC2)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C19H31N3O3/c1-21(15-10-6-5-7-11-15)16(23)14-22-17(24)19(20-18(22)25)12-8-3-2-4-9-13-19/h15H,2-14H2,1H3,(H,20,25)

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Potential Energy
Epot(MMFF94)=98.1402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.475 g/mol  logS: -4.07379  SlogP: 2.8124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878172  Sterimol/B1: 2.22835  Sterimol/B2: 3.23619  Sterimol/B3: 5.09389
  Sterimol/B4: 6.21354  Sterimol/L: 16.9867 
 
 Surface and Volume Properties
  Accessible surface: 598.146  Positive charged surface: 449.102  Negative charged surface: 149.044  Volume: 345.75
  Hydrophobic surface: 492.966  Hydrophilic surface: 105.18
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.