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PUBCHEM-ZINC04202782

 MMsINC code: MMs03099046
Type: Neutral
Formula: C10H19NO2
SMILES:   O(C(=O)C1NCCCC1)C(C)(C)C
InChI:   InChI=1/C10H19NO2/c1-10(2,3)13-9(12)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=43.1099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.50143  SlogP: 1.4702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110069  Sterimol/B1: 2.07723  Sterimol/B2: 3.1847  Sterimol/B3: 4.04348
  Sterimol/B4: 4.83548  Sterimol/L: 12.5781 
 
 Surface and Volume Properties
  Accessible surface: 415.029  Positive charged surface: 312.828  Negative charged surface: 102.201  Volume: 197.875
  Hydrophobic surface: 319.548  Hydrophilic surface: 95.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03099047
PUBCHEM-ZINC04202782