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FDA-ZINC02041322

 MMsINC code: MMs01725807
Type: Neutral
Formula: C10H20N2O4
SMILES:   O(CC(C(CC)C)(COC(=O)N)C)C(=O)N
InChI:   InChI=1/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)/t7-/m0/s1

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=12.1447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -2.45227  SlogP: 1.2294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186195  Sterimol/B1: 1.97648  Sterimol/B2: 3.43834  Sterimol/B3: 3.9204
  Sterimol/B4: 7.19995  Sterimol/L: 13.7513 
 
 Surface and Volume Properties
  Accessible surface: 455.811  Positive charged surface: 320.652  Negative charged surface: 135.159  Volume: 224.75
  Hydrophobic surface: 175.254  Hydrophilic surface: 280.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.