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ASINEX-ZINC04045813

 MMsINC code: MMs00298399
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C(N1CC2(CC(C1)(CN(C2)C(=O)CC)C)C)CC
InChI:   InChI=1/C15H26N2O2/c1-5-12(18)16-8-14(3)7-15(4,9-16)11-17(10-14)13(19)6-2/h5-11H2,1-4H3/t14-,15+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.3278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -1.19761  SlogP: 1.8935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.299507  Sterimol/B1: 2.88336  Sterimol/B2: 3.01458  Sterimol/B3: 4.99778
  Sterimol/B4: 6.1608  Sterimol/L: 10.2592 
 
 Surface and Volume Properties
  Accessible surface: 453.361  Positive charged surface: 339.707  Negative charged surface: 113.654  Volume: 276.5
  Hydrophobic surface: 339.052  Hydrophilic surface: 114.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.