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DocumentationIdentifier: MM301940
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301940 |
| SMILES |
C#CCNCC(O)C(=C)C
|
| InChIKey |
KYRQWZXCVDOLBM-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78928
Similarity: 0.8288
Similarity to MM78928
| Tanimoto metric | 0.8288 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9064 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301744
Similarity: 0.7419
Similarity to MM301744
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8519 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81194
Similarity: 0.736
Similarity to MM81194
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8479 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
