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NCID-ZINC01593045

 MMsINC code: MMs02247369
Type: Neutral
Formula: C12H23NO2
SMILES:   O(C(=O)C(N1CCCCCC1C)C)CC
InChI:   InChI=1/C12H23NO2/c1-4-15-12(14)11(3)13-9-7-5-6-8-10(13)2/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=79.1576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.321 g/mol  logS: -1.83415  SlogP: 2.2025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152799  Sterimol/B1: 2.98905  Sterimol/B2: 4.00935  Sterimol/B3: 4.43094
  Sterimol/B4: 4.83916  Sterimol/L: 13.1352 
 
 Surface and Volume Properties
  Accessible surface: 450.323  Positive charged surface: 345.771  Negative charged surface: 104.552  Volume: 230.125
  Hydrophobic surface: 367.873  Hydrophilic surface: 82.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02247370
NCID-ZINC01593045