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NCID-ZINC04692289

 MMsINC code: MMs02393884
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-/m0/s1

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Potential Energy
Epot(MMFF94)=109.85 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: 0.0472264  Sterimol/B1: 2.61279  Sterimol/B2: 2.91059  Sterimol/B3: 5.25511
  Sterimol/B4: 7.38984  Sterimol/L: 18.8696 
 
 Surface and Volume Properties
  Accessible surface: 669.758  Positive charged surface: 500.112  Negative charged surface: 169.646  Volume: 342.5
  Hydrophobic surface: 510.753  Hydrophilic surface: 159.005
 
 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.