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PUBCHEM-ZINC06364548

 MMsINC code: MMs03688642
Type: Neutral
Formula: C17H30N2O5
SMILES:   O1CCN(CC1)C(=O)CC(CC(=O)NC(CC(C)C)C(OC)=O)C
InChI:   InChI=1/C17H30N2O5/c1-12(2)9-14(17(22)23-4)18-15(20)10-13(3)11-16(21)19-5-7-24-8-6-19/h12-14H,5-11H2,1-4H3,(H,18,20)/t13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=86.8476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.436 g/mol  logS: -2.56959  SlogP: 0.9654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595393  Sterimol/B1: 2.3236  Sterimol/B2: 2.52676  Sterimol/B3: 5.00943
  Sterimol/B4: 7.93299  Sterimol/L: 18.7978 
 
 Surface and Volume Properties
  Accessible surface: 635.186  Positive charged surface: 513.505  Negative charged surface: 121.681  Volume: 340.25
  Hydrophobic surface: 489.476  Hydrophilic surface: 145.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.