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CHEMBRIDGE-ZINC00436627

 MMsINC code: MMs00614575
Type: Neutral
Formula: C9H19NO
SMILES:   OCC1N(CCCCC1)CC
InChI:   InChI=1/C9H19NO/c1-2-10-7-5-3-4-6-9(10)8-11/h9,11H,2-8H2,1H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=60.8791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.257 g/mol  logS: -0.56902  SlogP: 1.2432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227429  Sterimol/B1: 2.34207  Sterimol/B2: 2.54498  Sterimol/B3: 3.83293
  Sterimol/B4: 6.06157  Sterimol/L: 9.90547 
 
 Surface and Volume Properties
  Accessible surface: 356.036  Positive charged surface: 294.832  Negative charged surface: 61.2038  Volume: 176.125
  Hydrophobic surface: 294.235  Hydrophilic surface: 61.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00614576
CHEMBRIDGE-ZINC00436627