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DocumentationIdentifier: MM70696
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70696 |
| SMILES |
C#CC(=NCCN)N(C)C
|
| InChIKey |
RFQSAXMJZBZODI-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180661
Similarity: 0.8288
Similarity to MM180661
| Tanimoto metric | 0.8288 |
|---|---|
| Cosine metric | 0.9104 |
| Dice metric | 0.9064 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275998
Similarity: 0.697
Similarity to MM275998
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8214 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396853
Similarity: 0.6866
Similarity to MM396853
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.8142 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
