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DocumentationIdentifier: MM170631
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170631 |
| SMILES |
CNC(=O)C#CCCN
|
| InChIKey |
VDSIAPZRHRZRKF-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
-0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61768
Similarity: 0.9268
Similarity to MM61768
| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260374
Similarity: 0.8539
Similarity to MM260374
| Tanimoto metric | 0.8539 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37233
Similarity: 0.8421
Similarity to MM37233
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+503 more
