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CHEMDIV-ZINC02953735

 MMsINC code: MMs00897676
Type: Neutral
Formula: C16H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC1CC1)C1CCCCCCC1
InChI:   InChI=1/C16H26N2O2/c19-15-10-12(16(20)17-13-8-9-13)11-18(15)14-6-4-2-1-3-5-7-14/h12-14H,1-11H2,(H,17,20)/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.4422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.396 g/mol  logS: -2.67089  SlogP: 2.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681821  Sterimol/B1: 3.14755  Sterimol/B2: 3.70364  Sterimol/B3: 4.18189
  Sterimol/B4: 4.30109  Sterimol/L: 16.585 
 
 Surface and Volume Properties
  Accessible surface: 532.706  Positive charged surface: 387.486  Negative charged surface: 145.219  Volume: 289.875
  Hydrophobic surface: 419.86  Hydrophilic surface: 112.846
 
 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: no related molecules available.