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NCID-ZINC01579150

 MMsINC code: MMs02237005
Type: Neutral
Formula: C15H27NO2
SMILES:   O(C)C1CC(C2CCCCC2)C(NC(=O)C)CC1
InChI:   InChI=1/C15H27NO2/c1-11(17)16-15-9-8-13(18-2)10-14(15)12-6-4-3-5-7-12/h12-15H,3-10H2,1-2H3,(H,16,17)/t13-,14+,15-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.4383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.386 g/mol  logS: -3.54486  SlogP: 2.8865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160553  Sterimol/B1: 2.26473  Sterimol/B2: 3.34  Sterimol/B3: 4.17863
  Sterimol/B4: 9.147  Sterimol/L: 12.5592 
 
 Surface and Volume Properties
  Accessible surface: 502.524  Positive charged surface: 397.113  Negative charged surface: 105.412  Volume: 272.625
  Hydrophobic surface: 452.319  Hydrophilic surface: 50.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.