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ASINEX-ZINC02062800

 MMsINC code: MMs00262208
Type: Ionized
Formula: C14H20NO4-
SMILES:   O=C1N(CCCCCC(=O)[O-])C(=O)C2C1CCCC2
InChI:   InChI=1/C14H21NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h10-11H,1-9H2,(H,16,17)/p-1/t10-,11+

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Potential Energy
Epot(MMFF94)=-0.171076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.317 g/mol  logS: -2.03257  SlogP: 0.4719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562124  Sterimol/B1: 2.5293  Sterimol/B2: 3.21999  Sterimol/B3: 4.17843
  Sterimol/B4: 4.87239  Sterimol/L: 16.876 
 
 Surface and Volume Properties
  Accessible surface: 514.84  Positive charged surface: 347.488  Negative charged surface: 167.352  Volume: 256.875
  Hydrophobic surface: 354.396  Hydrophilic surface: 160.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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:


MMs00262207
ASINEX-ZINC02062800