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NCID-ZINC01732509

 MMsINC code: MMs02355219
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N1CC(CCC1)C)CCCC
InChI:   InChI=1/C11H21NO/c1-3-4-7-11(13)12-8-5-6-10(2)9-12/h10H,3-9H2,1-2H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.0206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.85261  SlogP: 2.4351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563099  Sterimol/B1: 2.63759  Sterimol/B2: 3.39614  Sterimol/B3: 3.4559
  Sterimol/B4: 4.7537  Sterimol/L: 14.2435 
 
 Surface and Volume Properties
  Accessible surface: 429.226  Positive charged surface: 340.466  Negative charged surface: 88.7597  Volume: 207.625
  Hydrophobic surface: 355.897  Hydrophilic surface: 73.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.