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ASINEX-ZINC01328758

 MMsINC code: MMs00236366
Type: Neutral
Formula: C13H21NO4
SMILES:   O1CCCC1C(OC(C(=O)NC1CCCC1)C)=O
InChI:   InChI=1/C13H21NO4/c1-9(12(15)14-10-5-2-3-6-10)18-13(16)11-7-4-8-17-11/h9-11H,2-8H2,1H3,(H,14,15)/t9-,11+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.3732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.314 g/mol  logS: -2.14943  SlogP: 1.1559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050455  Sterimol/B1: 1.969  Sterimol/B2: 3.11316  Sterimol/B3: 3.81327
  Sterimol/B4: 5.56856  Sterimol/L: 16.0479 
 
 Surface and Volume Properties
  Accessible surface: 517.655  Positive charged surface: 379.977  Negative charged surface: 137.677  Volume: 253.375
  Hydrophobic surface: 414.347  Hydrophilic surface: 103.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.