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IBS-ZINC02407738

 MMsINC code: MMs01854150
Type: Ionized
Formula: C8H15N2O4-
SMILES:   O(CCCNC(=O)NC(C(=O)[O-])C)C
InChI:   InChI=1/C8H16N2O4/c1-6(7(11)12)10-8(13)9-4-3-5-14-2/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.88238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.218 g/mol  logS: -0.53224  SlogP: -1.5395  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0347672  Sterimol/B1: 2.37045  Sterimol/B2: 2.50605  Sterimol/B3: 3.62651
  Sterimol/B4: 5.10979  Sterimol/L: 15.9801 
 
 Surface and Volume Properties
  Accessible surface: 443.149  Positive charged surface: 318.714  Negative charged surface: 124.435  Volume: 193.875
  Hydrophobic surface: 267.688  Hydrophilic surface: 175.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs01854149
IBS-ZINC02407738