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PUBCHEM-ZINC04203187

 MMsINC code: MMs03099485
Type: Neutral
Formula: C10H19NO2
SMILES:   O(C(=O)C1NCC(C1)C(C)C)CC
InChI:   InChI=1/C10H19NO2/c1-4-13-10(12)9-5-8(6-11-9)7(2)3/h7-9,11H,4-6H2,1-3H3/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=39.6619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.87745  SlogP: 1.1836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688613  Sterimol/B1: 2.76856  Sterimol/B2: 3.16398  Sterimol/B3: 3.41879
  Sterimol/B4: 4.80429  Sterimol/L: 13.8781 
 
 Surface and Volume Properties
  Accessible surface: 424.988  Positive charged surface: 322.954  Negative charged surface: 102.034  Volume: 201
  Hydrophobic surface: 302.341  Hydrophilic surface: 122.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03099486
PUBCHEM-ZINC04203187