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ENAMINE-ZINC03887395

 MMsINC code: MMs01528578
Type: Neutral
Formula: C9H12N2O4
SMILES:   O=C1N(CC(O)=O)C(=O)NC12CCCC2
InChI:   InChI=1/C9H12N2O4/c12-6(13)5-11-7(14)9(10-8(11)15)3-1-2-4-9/h1-5H2,(H,10,15)(H,12,13)

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Potential Energy
Epot(MMFF94)=5.17912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.205 g/mol  logS: -0.98625  SlogP: -0.0644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139268  Sterimol/B1: 3.09165  Sterimol/B2: 3.42142  Sterimol/B3: 3.69559
  Sterimol/B4: 3.93157  Sterimol/L: 12.1863 
 
 Surface and Volume Properties
  Accessible surface: 390.768  Positive charged surface: 253.023  Negative charged surface: 137.746  Volume: 183.5
  Hydrophobic surface: 200.316  Hydrophilic surface: 190.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01528579
ENAMINE-ZINC03887395