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PUBCHEM-ZINC05960526

 MMsINC code: MMs03461964
Type: Ionized
Formula: C10H14NO4-
SMILES:   O=C1N(C(C(CC)C)C(=O)[O-])C(=O)CC1
InChI:   InChI=1/C10H15NO4/c1-3-6(2)9(10(14)15)11-7(12)4-5-8(11)13/h6,9H,3-5H2,1-2H3,(H,14,15)/p-1/t6-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=17.7825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.225 g/mol  logS: -1.45937  SlogP: -0.7  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183702  Sterimol/B1: 2.46264  Sterimol/B2: 3.73826  Sterimol/B3: 3.89796
  Sterimol/B4: 7.24329  Sterimol/L: 10.7367 
 
 Surface and Volume Properties
  Accessible surface: 398.811  Positive charged surface: 226.627  Negative charged surface: 172.183  Volume: 198.125
  Hydrophobic surface: 227.714  Hydrophilic surface: 171.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs03461963
PUBCHEM-ZINC05960526