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PUBCHEM-ZINC05912615

 MMsINC code: MMs03441750
Type: Neutral
Formula: C9H16N2O4
SMILES:   O1CCCC1CNC(=O)NC(C(O)=O)C
InChI:   InChI=1/C9H16N2O4/c1-6(8(12)13)11-9(14)10-5-7-3-2-4-15-7/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=5.16663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.237 g/mol  logS: -0.6224  SlogP: -0.0623  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0709885  Sterimol/B1: 2.25163  Sterimol/B2: 2.56333  Sterimol/B3: 4.33754
  Sterimol/B4: 4.72131  Sterimol/L: 15.0259 
 
 Surface and Volume Properties
  Accessible surface: 446.4  Positive charged surface: 328.181  Negative charged surface: 118.218  Volume: 201.5
  Hydrophobic surface: 261.987  Hydrophilic surface: 184.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03441751
PUBCHEM-ZINC05912615