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PUBCHEM-ZINC05960526

 MMsINC code: MMs03461963
Type: Neutral
Formula: C10H15NO4
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)/t6-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=15.5887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.233 g/mol  logS: -1.19892  SlogP: 0.6347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203102  Sterimol/B1: 2.49981  Sterimol/B2: 3.43379  Sterimol/B3: 4.49363
  Sterimol/B4: 7.5371  Sterimol/L: 10.4762 
 
 Surface and Volume Properties
  Accessible surface: 399.007  Positive charged surface: 246.028  Negative charged surface: 152.978  Volume: 197.875
  Hydrophobic surface: 218.187  Hydrophilic surface: 180.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03461964
PUBCHEM-ZINC05960526