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PUBCHEM-ZINC05528012

 MMsINC code: MMs03298558
Type: Neutral
Formula: C10H17NO3
SMILES:   OC(=O)CCC(=O)N1CC(CCC1)C
InChI:   InChI=1/C10H17NO3/c1-8-3-2-6-11(7-8)9(12)4-5-10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=3.99551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -0.37272  SlogP: 1.1097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609183  Sterimol/B1: 2.54597  Sterimol/B2: 2.67648  Sterimol/B3: 3.38825
  Sterimol/B4: 5.54795  Sterimol/L: 13.9556 
 
 Surface and Volume Properties
  Accessible surface: 416.462  Positive charged surface: 305.691  Negative charged surface: 110.771  Volume: 199
  Hydrophobic surface: 266.543  Hydrophilic surface: 149.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03298559
PUBCHEM-ZINC05528012