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ASINEX-ZINC02398460

 MMsINC code: MMs00270859
Type: Neutral
Formula: C11H17NO4
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)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.0717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.26 g/mol  logS: -0.64195  SlogP: 1.1705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649491  Sterimol/B1: 3.38149  Sterimol/B2: 3.42666  Sterimol/B3: 3.95056
  Sterimol/B4: 3.9521  Sterimol/L: 15.7473 
 
 Surface and Volume Properties
  Accessible surface: 456.637  Positive charged surface: 316.5  Negative charged surface: 140.137  Volume: 216.375
  Hydrophobic surface: 290.527  Hydrophilic surface: 166.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00270860
ASINEX-ZINC02398460