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DocumentationIdentifier: MM232149
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232149 |
| SMILES |
CC=C(CC=O)C(C)(C)O
|
| InChIKey |
VRTPSVIBZRZILA-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132123
Similarity: 0.7226
Similarity to MM132123
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.8501 |
| Dice metric | 0.839 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75910
Similarity: 0.6474
Similarity to MM75910
| Tanimoto metric | 0.6474 |
|---|---|
| Cosine metric | 0.7877 |
| Dice metric | 0.786 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306164
Similarity: 0.6433
Similarity to MM306164
| Tanimoto metric | 0.6433 |
|---|---|
| Cosine metric | 0.7845 |
| Dice metric | 0.7829 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
