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NCID-ZINC01760927

 MMsINC code: MMs02367220
Type: Ionized
Formula: C12H24NO2+
SMILES:   OC(=O)C1[NH2+]CCCCCCCCCC1
InChI:   InChI=1/C12H23NO2/c14-12(15)11-9-7-5-3-1-2-4-6-8-10-13-11/h11,13H,1-10H2,(H,14,15)/p+1/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=31.3597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.329 g/mol  logS: -2.86095  SlogP: 1.5275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236718  Sterimol/B1: 2.51692  Sterimol/B2: 3.58974  Sterimol/B3: 3.73001
  Sterimol/B4: 7.20169  Sterimol/L: 11.1613 
 
 Surface and Volume Properties
  Accessible surface: 417.616  Positive charged surface: 333.425  Negative charged surface: 84.1903  Volume: 237.375
  Hydrophobic surface: 332.28  Hydrophilic surface: 85.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs02367219
NCID-ZINC01760927