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NCID-ZINC01869813

 MMsINC code: MMs02375840
Type: Neutral
Formula: C14H19NO
SMILES:   O1CC2(CCN(CC2)C)c2c(C1)cccc2
InChI:   InChI=1/C14H19NO/c1-15-8-6-14(7-9-15)11-16-10-12-4-2-3-5-13(12)14/h2-5H,6-11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.3652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.312 g/mol  logS: -1.88434  SlogP: 2.4466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134657  Sterimol/B1: 3.43715  Sterimol/B2: 3.75804  Sterimol/B3: 4.17772
  Sterimol/B4: 4.54247  Sterimol/L: 12.8228 
 
 Surface and Volume Properties
  Accessible surface: 421.559  Positive charged surface: 328.733  Negative charged surface: 92.8262  Volume: 227.375
  Hydrophobic surface: 395.621  Hydrophilic surface: 25.938
 
 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


MMs02375841
NCID-ZINC01869813