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ASINEX-ZINC00873926

 MMsINC code: MMs00203016
Type: Ionized
Formula: C14H19N2O4-
SMILES:   O=C(N1CCC(CC1)C(=O)N)C1CC=CCC1C(=O)[O-]
InChI:   InChI=1/C14H20N2O4/c15-12(17)9-5-7-16(8-6-9)13(18)10-3-1-2-4-11(10)14(19)20/h1-2,9-11H,3-8H2,(H2,15,17)(H,19,20)/p-1/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=9.98389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.316 g/mol  logS: -0.43229  SlogP: -0.9574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13483  Sterimol/B1: 2.58713  Sterimol/B2: 3.29886  Sterimol/B3: 5.14647
  Sterimol/B4: 5.59903  Sterimol/L: 14.4533 
 
 Surface and Volume Properties
  Accessible surface: 485.436  Positive charged surface: 330.413  Negative charged surface: 155.023  Volume: 263
  Hydrophobic surface: 273.446  Hydrophilic surface: 211.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00203015
ASINEX-ZINC00873926