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IBS-ZINC04149419

 MMsINC code: MMs01881849
Type: Ionized
Formula: C18H28N3O5-
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C18H29N3O5/c1-20-16(24)14(17(25)21(2)18(20)26)13-19-12-10-8-6-4-3-5-7-9-11-15(22)23/h13,19H,3-12H2,1-2H3,(H,22,23)/p-1

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Potential Energy
Epot(MMFF94)=-15.3678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.438 g/mol  logS: -3.68453  SlogP: 0.7711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00839499  Sterimol/B1: 2.37226  Sterimol/B2: 2.37932  Sterimol/B3: 2.9385
  Sterimol/B4: 6.32005  Sterimol/L: 24.7874 
 
 Surface and Volume Properties
  Accessible surface: 704.367  Positive charged surface: 524.513  Negative charged surface: 179.853  Volume: 360.375
  Hydrophobic surface: 496.566  Hydrophilic surface: 207.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs01881848
IBS-ZINC04149419