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NCID-ZINC04692288

 MMsINC code: MMs02393883
Type: Neutral
Formula: C19H29NO4
SMILES:   O=C1N(CCCOCCOCCC(C)C)C(=O)C2C1C1CC2C=C1
InChI:   InChI=1/C19H29NO4/c1-13(2)6-9-24-11-10-23-8-3-7-20-18(21)16-14-4-5-15(12-14)17(16)19(20)22/h4-5,13-17H,3,6-12H2,1-2H3/t14-,15+,16-,17+

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Potential Energy
Epot(MMFF94)=62.4736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.444 g/mol  logS: -2.58438  SlogP: 2.2629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043968  Sterimol/B1: 2.29167  Sterimol/B2: 3.07412  Sterimol/B3: 5.04871
  Sterimol/B4: 6.77348  Sterimol/L: 19.3493 
 
 Surface and Volume Properties
  Accessible surface: 660.767  Positive charged surface: 507.852  Negative charged surface: 152.915  Volume: 344.375
  Hydrophobic surface: 527.62  Hydrophilic surface: 133.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.