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DocumentationIdentifier: MM106501
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106501 |
| SMILES |
O=C(O)C#CC=CF
|
| InChIKey |
SHSYOLLTWQGOTQ-UHFFFAOYSA-N
|
| MW [Da] |
114.08
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170824
Similarity: 0.747
Similarity to MM170824
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8552 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Pent-4-en-2-ynoic Acid
Similarity: 0.7419
Similarity to Pent-4-en-2-ynoic Acid
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 96.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133445
Similarity: 0.7294
Similarity to MM133445
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8435 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
