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DocumentationIdentifier: MM345326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345326 |
| SMILES |
C#CC1CN1C(C)(C)CC
|
| InChIKey |
DKJYJUFUUBWRLM-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM211117
Similarity: 0.8311
Similarity to MM211117
| Tanimoto metric | 0.8311 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428308
Similarity: 0.7785
Similarity to MM428308
| Tanimoto metric | 0.7785 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8754 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM151863
Similarity: 0.7568
Similarity to MM151863
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
