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NCID-ZINC01687484

 MMsINC code: MMs02320185
Type: Neutral
Formula: C10H23NO
SMILES:   OCCCCCNCCC(C)C
InChI:   InChI=1/C10H23NO/c1-10(2)6-8-11-7-4-3-5-9-12/h10-12H,3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.30632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -1.31967  SlogP: 1.7847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0342221  Sterimol/B1: 2.39748  Sterimol/B2: 2.79161  Sterimol/B3: 3.12121
  Sterimol/B4: 4.30091  Sterimol/L: 16.8202 
 
 Surface and Volume Properties
  Accessible surface: 458.112  Positive charged surface: 378.211  Negative charged surface: 79.9014  Volume: 209.5
  Hydrophobic surface: 345.705  Hydrophilic surface: 112.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02320186
NCID-ZINC01687484