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DocumentationIdentifier: MM444100
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM444100 |
| SMILES |
C#CC1CN1C(C)C#CC
|
| InChIKey |
QIADZIINPUWZOU-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196500
Similarity: 0.844
Similarity to MM196500
| Tanimoto metric | 0.844 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9154 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196246
Similarity: 0.8041
Similarity to MM196246
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8914 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441266
Similarity: 0.8041
Similarity to MM441266
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8914 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
