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DocumentationIdentifier: MM361484
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361484 |
| SMILES |
CC#CC=C(C)N(C)C=O
|
| InChIKey |
VBHLQGBYPUHQTO-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51071
Similarity: 0.8509
Similarity to MM51071
| Tanimoto metric | 0.8509 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86688
Similarity: 0.6806
Similarity to MM86688
| Tanimoto metric | 0.6806 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.8099 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292499
Similarity: 0.6563
Similarity to MM292499
| Tanimoto metric | 0.6563 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7925 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
