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NCID-ZINC01690890

 MMsINC code: MMs02323091
Type: Neutral
Formula: C11H25NO
SMILES:   OCCN(C(CCC)CC)C(C)C
InChI:   InChI=1/C11H25NO/c1-5-7-11(6-2)12(8-9-13)10(3)4/h10-11,13H,5-9H2,1-4H3/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.327 g/mol  logS: -1.51349  SlogP: 2.2678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.486544  Sterimol/B1: 3.58497  Sterimol/B2: 3.69547  Sterimol/B3: 5.01631
  Sterimol/B4: 5.07086  Sterimol/L: 10.5486 
 
 Surface and Volume Properties
  Accessible surface: 418.167  Positive charged surface: 314.478  Negative charged surface: 103.689  Volume: 215.25
  Hydrophobic surface: 290.001  Hydrophilic surface: 128.166
 
 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


MMs02323092
NCID-ZINC01690890