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NCID-ZINC01662623

 MMsINC code: MMs02299351
Type: Neutral
Formula: C14H27NO2
SMILES:   O=C(C(C(=O)N(CC(C)C)CC(C)C)C)CC
InChI:   InChI=1/C14H27NO2/c1-7-13(16)12(6)14(17)15(8-10(2)3)9-11(4)5/h10-12H,7-9H2,1-6H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=45.0301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.375 g/mol  logS: -1.74279  SlogP: 2.7422  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.161319  Sterimol/B1: 2.52721  Sterimol/B2: 3.73817  Sterimol/B3: 4.73071
  Sterimol/B4: 7.12881  Sterimol/L: 13.8504 
 
 Surface and Volume Properties
  Accessible surface: 501.207  Positive charged surface: 351.215  Negative charged surface: 149.991  Volume: 272.125
  Hydrophobic surface: 350.692  Hydrophilic surface: 150.515
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02299353
NCID-ZINC01662623


MMs02299352
NCID-ZINC01662623


MMs02299354
NCID-ZINC01662623


MMs02299355
NCID-ZINC01662623