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DocumentationIdentifier: MM350715
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350715 |
| SMILES |
C#CC(C#N)N(CC)CC
|
| InChIKey |
HPLNSDRSOUEAGR-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53016
Similarity: 0.9175
Similarity to MM53016
| Tanimoto metric | 0.9175 |
|---|---|
| Cosine metric | 0.9579 |
| Dice metric | 0.957 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72798
Similarity: 0.8036
Similarity to MM72798
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.8911 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350621
Similarity: 0.8036
Similarity to MM350621
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.8911 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
