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NCID-ZINC01648962

 MMsINC code: MMs02288995
Type: Neutral
Formula: C9H21NO
SMILES:   OCCCN(C(C)C)C(C)C
InChI:   InChI=1/C9H21NO/c1-8(2)10(9(3)4)6-5-7-11/h8-9,11H,5-7H2,1-4H3

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Potential Energy
Epot(MMFF94)=56.8731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.273 g/mol  logS: -0.7965  SlogP: 1.4876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.249024  Sterimol/B1: 2.28898  Sterimol/B2: 2.63621  Sterimol/B3: 4.75021
  Sterimol/B4: 5.88307  Sterimol/L: 11.6577 
 
 Surface and Volume Properties
  Accessible surface: 376.837  Positive charged surface: 283.946  Negative charged surface: 92.8904  Volume: 186.375
  Hydrophobic surface: 252.781  Hydrophilic surface: 124.056
 
 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


MMs02288996
NCID-ZINC01648962