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ASINEX-ZINC02398460

 MMsINC code: MMs00270860
Type: Ionized
Formula: C11H16NO4-
SMILES:   O=C1N(CCCCCC(=O)[O-])C(=O)CCC1
InChI:   InChI=1/C11H17NO4/c13-9-5-4-6-10(14)12(9)8-3-1-2-7-11(15)16/h1-8H2,(H,15,16)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.30021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.252 g/mol  logS: -0.9024  SlogP: -0.1642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0696358  Sterimol/B1: 3.30308  Sterimol/B2: 3.74093  Sterimol/B3: 4.06959
  Sterimol/B4: 4.07484  Sterimol/L: 15.6306 
 
 Surface and Volume Properties
  Accessible surface: 452.685  Positive charged surface: 291.771  Negative charged surface: 160.915  Volume: 216.125
  Hydrophobic surface: 284.235  Hydrophilic surface: 168.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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:


MMs00270859
ASINEX-ZINC02398460