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ASINEX-ZINC04169251

 MMsINC code: MMs00314074
Type: Neutral
Formula: C11H16N2O4
SMILES:   O=C1N(C2CCCCC2)C(=O)NC1CC(O)=O
InChI:   InChI=1/C11H16N2O4/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,17)(H,14,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.259 g/mol  logS: -1.38339  SlogP: 0.7142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0955131  Sterimol/B1: 3.27602  Sterimol/B2: 3.55306  Sterimol/B3: 3.76819
  Sterimol/B4: 4.50635  Sterimol/L: 14.4321 
 
 Surface and Volume Properties
  Accessible surface: 437.986  Positive charged surface: 296.505  Negative charged surface: 141.481  Volume: 216.125
  Hydrophobic surface: 253.308  Hydrophilic surface: 184.678
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00314075
ASINEX-ZINC04169251