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ASINEX-ZINC02062800

 MMsINC code: MMs00262207
Type: Neutral
Formula: C14H21NO4
SMILES:   O=C1N(CCCCCC(O)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C14H21NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h10-11H,1-9H2,(H,16,17)/t10-,11+

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Potential Energy
Epot(MMFF94)=-3.44763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.325 g/mol  logS: -1.77212  SlogP: 1.8066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0533794  Sterimol/B1: 2.51285  Sterimol/B2: 3.16461  Sterimol/B3: 4.20209
  Sterimol/B4: 4.88871  Sterimol/L: 17.051 
 
 Surface and Volume Properties
  Accessible surface: 513.837  Positive charged surface: 364.122  Negative charged surface: 149.715  Volume: 258.5
  Hydrophobic surface: 354.273  Hydrophilic surface: 159.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00262208
ASINEX-ZINC02062800