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NCID-ZINC01850246

MMsINC code: MMs02371617

Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)CCCNC1CCCCC1)C
InChI:   InChI=1/C11H21NO2/c1-14-11(13)8-5-9-12-10-6-3-2-4-7-10/h10,12H,2-9H2,1H3

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Potential Energy
Epot(MMFF94)=5.2436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.32048  SlogP: 1.8619  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0443916  Sterimol/B1: 2.96462  Sterimol/B2: 3.19396  Sterimol/B3: 3.76052
  Sterimol/B4: 3.83714  Sterimol/L: 16.2086 
 
 Surface and Volume Properties
  Accessible surface: 460.346  Positive charged surface: 379.155  Negative charged surface: 81.1909  Volume: 217.5
  Hydrophobic surface: 400.999  Hydrophilic surface: 59.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02371618
NCID-ZINC01850246