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NCID-ZINC01664956

 MMsINC code: MMs02301142
Type: Neutral
Formula: C13H27NO
SMILES:   O=C(N(CC(C)C)CC(C)C)CC(C)C
InChI:   InChI=1/C13H27NO/c1-10(2)7-13(15)14(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.0074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.365 g/mol  logS: -2.35819  SlogP: 3.1731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18172  Sterimol/B1: 2.10496  Sterimol/B2: 2.79749  Sterimol/B3: 4.86573
  Sterimol/B4: 7.39158  Sterimol/L: 12.2887 
 
 Surface and Volume Properties
  Accessible surface: 471.539  Positive charged surface: 343.628  Negative charged surface: 127.911  Volume: 253.75
  Hydrophobic surface: 344.348  Hydrophilic surface: 127.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.