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ASINEX-ZINC04713433

 MMsINC code: MMs00362928
Type: Neutral
Formula: C11H19NO3
SMILES:   OC(=O)CCC(=O)CCN1CCCCC1
InChI:   InChI=1/C11H19NO3/c13-10(4-5-11(14)15)6-9-12-7-2-1-3-8-12/h1-9H2,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.78055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -0.21553  SlogP: 1.2963  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0399074  Sterimol/B1: 2.88127  Sterimol/B2: 3.29922  Sterimol/B3: 3.40117
  Sterimol/B4: 4.22415  Sterimol/L: 15.9108 
 
 Surface and Volume Properties
  Accessible surface: 456.607  Positive charged surface: 347.903  Negative charged surface: 108.704  Volume: 215.875
  Hydrophobic surface: 327.199  Hydrophilic surface: 129.408
 
 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: no related molecules available.