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DocumentationIdentifier: MM159879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159879 |
| SMILES |
CC#CC(F)=CC=CC
|
| InChIKey |
NPKBOTDHIYSPBA-UHFFFAOYSA-N
|
| MW [Da] |
124.16
Automatically obtained from RDkit software. |
| LogP |
2.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM285446
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Similarity to MM285446
| Tanimoto metric | 0.9367 |
|---|---|
| Cosine metric | 0.9678 |
| Dice metric | 0.9673 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.9136 |
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| Cosine metric | 0.9558 |
| Dice metric | 0.9548 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108015
Similarity: 0.8378
Similarity to MM108015
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+625 more
