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CHEMBLOCK-ZINC02522351

 MMsINC code: MMs00532782
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(CC(C)C)CNC(C)(C)C
InChI:   InChI=1/C10H21NO/c1-8(2)6-9(12)7-11-10(3,4)5/h8,11H,6-7H2,1-5H3

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Potential Energy
Epot(MMFF94)=39.1846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.91003  SlogP: 1.9897  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.091634  Sterimol/B1: 2.69155  Sterimol/B2: 3.10574  Sterimol/B3: 3.5409
  Sterimol/B4: 4.3407  Sterimol/L: 13.3459 
 
 Surface and Volume Properties
  Accessible surface: 422.181  Positive charged surface: 304.239  Negative charged surface: 117.942  Volume: 200.875
  Hydrophobic surface: 290.293  Hydrophilic surface: 131.888
 
 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


MMs00532783
CHEMBLOCK-ZINC02522351