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DocumentationIdentifier: MM211117
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM211117 |
| SMILES |
C#CC1CN1C(C)CC
|
| InChIKey |
BNMGFNZKWFOOHT-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM428308
Similarity: 0.9248
Similarity to MM428308
| Tanimoto metric | 0.9248 |
|---|---|
| Cosine metric | 0.9617 |
| Dice metric | 0.9609 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345326
Similarity: 0.8311
Similarity to MM345326
| Tanimoto metric | 0.8311 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428515
Similarity: 0.8255
Similarity to MM428515
| Tanimoto metric | 0.8255 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9044 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
