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DocumentationIdentifier: MM295240
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295240 |
| SMILES |
C#CCOC=C(C)C(=C)C
|
| InChIKey |
HLAJVRFPXLHGSC-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM439005
Similarity: 0.8218
Similarity to MM439005
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.9022 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295191
Similarity: 0.7264
Similarity to MM295191
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8415 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154230
Similarity: 0.7234
Similarity to MM154230
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+555 more
