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NCID-ZINC01694338

MMsINC code: MMs02325563

Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)CN1CCCCC1)CCCC
InChI:   InChI=1/C11H21NO2/c1-2-3-9-14-11(13)10-12-7-5-4-6-8-12/h2-10H2,1H3

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=29.5407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.69495  SlogP: 1.8156  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0362355  Sterimol/B1: 2.9545  Sterimol/B2: 3.29922  Sterimol/B3: 3.68601
  Sterimol/B4: 4.02331  Sterimol/L: 15.8846 
 
 Surface and Volume Properties
  Accessible surface: 461.912  Positive charged surface: 377.342  Negative charged surface: 84.5693  Volume: 218.375
  Hydrophobic surface: 404.155  Hydrophilic surface: 57.757
 
 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


MMs02325564
NCID-ZINC01694338