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PUBCHEM-ZINC05912609

 MMsINC code: MMs03441746
Type: Neutral
Formula: C9H16N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCC1)C
InChI:   InChI=1/C9H16N2O3/c1-6(8(12)13)10-9(14)11-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.33642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -0.8833  SlogP: 0.7013  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0699265  Sterimol/B1: 2.15585  Sterimol/B2: 3.0811  Sterimol/B3: 3.47525
  Sterimol/B4: 5.03595  Sterimol/L: 13.6668 
 
 Surface and Volume Properties
  Accessible surface: 420.648  Positive charged surface: 296.009  Negative charged surface: 124.638  Volume: 195.375
  Hydrophobic surface: 253.819  Hydrophilic surface: 166.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03441747
PUBCHEM-ZINC05912609