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DocumentationIdentifier: MM231668
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231668 |
| SMILES |
CCC#CC(N)C(C)(C)O
|
| InChIKey |
OCVNXOZOCRAKGC-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM231736
Similarity: 0.7429
Similarity to MM231736
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8527 |
| Dice metric | 0.8525 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38687
Similarity: 0.7344
Similarity to MM38687
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8468 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37147
Similarity: 0.7273
Similarity to MM37147
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8421 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
