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ASINEX-ZINC02060515

 MMsINC code: MMs00261958
Type: Neutral
Formula: C11H15NO4
SMILES:   O=C1N(CCC(O)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C11H15NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h7-8H,1-6H2,(H,13,14)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.61595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.244 g/mol  logS: -1.16681  SlogP: 0.6363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803278  Sterimol/B1: 2.56622  Sterimol/B2: 3.36216  Sterimol/B3: 3.56841
  Sterimol/B4: 4.68669  Sterimol/L: 13.7079 
 
 Surface and Volume Properties
  Accessible surface: 420.374  Positive charged surface: 281.416  Negative charged surface: 138.958  Volume: 205.875
  Hydrophobic surface: 252.91  Hydrophilic surface: 167.464
 
 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


MMs00261959
ASINEX-ZINC02060515