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DocumentationIdentifier: MM287458
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287458 |
| SMILES |
CC#CCOCCC(C)=O
|
| InChIKey |
SBMLPXBCOLYVIU-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45016
Similarity: 0.8684
Similarity to MM45016
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365397
Similarity: 0.7444
Similarity to MM365397
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8535 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365395
Similarity: 0.7416
Similarity to MM365395
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8516 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
