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NCID-ZINC01761544

 MMsINC code: MMs02367561
Type: Neutral
Formula: C10H23NO
SMILES:   OCC(N(C(CC)CC)C)(C)C
InChI:   InChI=1/C10H23NO/c1-6-9(7-2)11(5)10(3,4)8-12/h9,12H,6-8H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=276.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -0.99827  SlogP: 1.8777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.444346  Sterimol/B1: 2.42036  Sterimol/B2: 3.26564  Sterimol/B3: 4.28409
  Sterimol/B4: 6.44414  Sterimol/L: 9.71343 
 
 Surface and Volume Properties
  Accessible surface: 373.142  Positive charged surface: 287.333  Negative charged surface: 85.8088  Volume: 195.625
  Hydrophobic surface: 264.409  Hydrophilic surface: 108.733
 
 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


MMs02367562
NCID-ZINC01761544