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PUBCHEM-ZINC06469175

 MMsINC code: MMs03750747
Type: Neutral
Formula: C19H30N2O5
SMILES:   O1CC(NC(=O)C(C\C=C\CCC1=O)CC(=O)NC1(CCCC1)CO)C
InChI:   InChI=1/C19H30N2O5/c1-14-12-26-17(24)8-4-2-3-7-15(18(25)20-14)11-16(23)21-19(13-22)9-5-6-10-19/h2-3,14-15,22H,4-13H2,1H3,(H,20,25)(H,21,23)/b3-2+/t14-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=56.8336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.458 g/mol  logS: -1.36326  SlogP: 1.202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0794739  Sterimol/B1: 2.40698  Sterimol/B2: 3.83749  Sterimol/B3: 4.04386
  Sterimol/B4: 8.31263  Sterimol/L: 16.7381 
 
 Surface and Volume Properties
  Accessible surface: 597.767  Positive charged surface: 445.816  Negative charged surface: 151.951  Volume: 359.375
  Hydrophobic surface: 450.402  Hydrophilic surface: 147.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.