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PUBCHEM-ZINC06762431

 MMsINC code: MMs03855825
Type: Ionized
Formula: C10H19N2O4-
SMILES:   O(CCNC(=O)NC(CC(C)C)C(=O)[O-])C
InChI:   InChI=1/C10H20N2O4/c1-7(2)6-8(9(13)14)12-10(15)11-4-5-16-3/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=6.52831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.272 g/mol  logS: -1.56268  SlogP: -0.9034  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.15177  Sterimol/B1: 2.10561  Sterimol/B2: 3.54691  Sterimol/B3: 5.10101
  Sterimol/B4: 6.15532  Sterimol/L: 12.6225 
 
 Surface and Volume Properties
  Accessible surface: 473.455  Positive charged surface: 346.928  Negative charged surface: 126.527  Volume: 229.25
  Hydrophobic surface: 296.307  Hydrophilic surface: 177.148
 
 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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Parent related molecule:


MMs03855824
PUBCHEM-ZINC06762431