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DocumentationIdentifier: MM125071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM125071 |
| SMILES |
C#CC(NCC)C(O)C#N
|
| InChIKey |
OMOWJCWIRIWTPU-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124858
Similarity: 0.8095
Similarity to MM124858
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46677
Similarity: 0.68
Similarity to MM46677
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.8095 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275006
Similarity: 0.6481
Similarity to MM275006
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7865 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
