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NCID-ZINC01685354

 MMsINC code: MMs02318541
Type: Neutral
Formula: C11H23NO
SMILES:   OCCC1NC(CC1C(C)C)(C)C
InChI:   InChI=1/C11H23NO/c1-8(2)9-7-11(3,4)12-10(9)5-6-13/h8-10,12-13H,5-7H2,1-4H3/t9-,10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.3457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -1.79572  SlogP: 1.7815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233711  Sterimol/B1: 2.38889  Sterimol/B2: 2.86605  Sterimol/B3: 3.87045
  Sterimol/B4: 7.69708  Sterimol/L: 11.0511 
 
 Surface and Volume Properties
  Accessible surface: 416.007  Positive charged surface: 310.331  Negative charged surface: 105.676  Volume: 213
  Hydrophobic surface: 274.306  Hydrophilic surface: 141.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02318542
NCID-ZINC01685354