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NCID-ZINC01729794

 MMsINC code: MMs02352932
Type: Ionized
Formula: C10H15N2O3-
SMILES:   O=C1N(CC(=O)[O-])C2(NC1)CCCCC2
InChI:   InChI=1/C10H16N2O3/c13-8-6-11-10(4-2-1-3-5-10)12(8)7-9(14)15/h11H,1-7H2,(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=31.5681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.241 g/mol  logS: -1.35629  SlogP: -1.1715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.348872  Sterimol/B1: 3.27605  Sterimol/B2: 3.50312  Sterimol/B3: 3.6849
  Sterimol/B4: 5.98251  Sterimol/L: 10.186 
 
 Surface and Volume Properties
  Accessible surface: 381.861  Positive charged surface: 251.885  Negative charged surface: 129.976  Volume: 197.5
  Hydrophobic surface: 244.746  Hydrophilic surface: 137.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02352931
NCID-ZINC01729794