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NCID-ZINC01593278

 MMsINC code: MMs02247617
Type: Neutral
Formula: C12H23NO2
SMILES:   O(C(=O)C(N1CCCCCCC1)C)CC
InChI:   InChI=1/C12H23NO2/c1-3-15-12(14)11(2)13-9-7-5-4-6-8-10-13/h11H,3-10H2,1-2H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=74.3969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.321 g/mol  logS: -2.02216  SlogP: 2.2041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149641  Sterimol/B1: 3.35629  Sterimol/B2: 3.56629  Sterimol/B3: 4.4945
  Sterimol/B4: 5.08075  Sterimol/L: 12.9721 
 
 Surface and Volume Properties
  Accessible surface: 443.152  Positive charged surface: 349.296  Negative charged surface: 93.8557  Volume: 231.125
  Hydrophobic surface: 384.195  Hydrophilic surface: 58.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs02247618
NCID-ZINC01593278