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PUBCHEM-ZINC05911836

 MMsINC code: MMs03441301
Type: Neutral
Formula: C9H16N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1)C
InChI:   InChI=1/C9H16N2O3/c1-7(8(12)13)10-9(14)11-5-3-2-4-6-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.4888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -0.57554  SlogP: 0.655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102897  Sterimol/B1: 2.23702  Sterimol/B2: 2.69775  Sterimol/B3: 4.5633
  Sterimol/B4: 4.75691  Sterimol/L: 12.6998 
 
 Surface and Volume Properties
  Accessible surface: 410.765  Positive charged surface: 302.051  Negative charged surface: 108.714  Volume: 192.875
  Hydrophobic surface: 268.449  Hydrophilic surface: 142.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03441302
PUBCHEM-ZINC05911836