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ASINEX-ZINC04268431

 MMsINC code: MMs00322218
Type: Neutral
Formula: C16H27NO4
SMILES:   O1CCCC1CNC(=O)C(C(OCC)=O)C1CCCCC1
InChI:   InChI=1/C16H27NO4/c1-2-20-16(19)14(12-7-4-3-5-8-12)15(18)17-11-13-9-6-10-21-13/h12-14H,2-11H2,1H3,(H,17,18)/t13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=43.46 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.395 g/mol  logS: -3.75126  SlogP: 2.0412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464875  Sterimol/B1: 2.47221  Sterimol/B2: 2.86984  Sterimol/B3: 3.44369
  Sterimol/B4: 8.39198  Sterimol/L: 15.9269 
 
 Surface and Volume Properties
  Accessible surface: 558.306  Positive charged surface: 448.516  Negative charged surface: 109.79  Volume: 300
  Hydrophobic surface: 484.81  Hydrophilic surface: 73.496
 
 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.