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NCID-ZINC05664815

 MMsINC code: MMs02485390
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)=81.481 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: 0.160157  Sterimol/B1: 2.93751  Sterimol/B2: 4.14692  Sterimol/B3: 4.53065
  Sterimol/B4: 4.64605  Sterimol/L: 13.453 
 
 Surface and Volume Properties
  Accessible surface: 442.542  Positive charged surface: 337.501  Negative charged surface: 105.041  Volume: 228.375
  Hydrophobic surface: 366.683  Hydrophilic surface: 75.859
 
 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


MMs02485391
NCID-ZINC05664815