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DocumentationIdentifier: MM214261
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM214261 |
| SMILES |
CCC#CCCCC#N
|
| InChIKey |
UDYUMHJEOSQWRU-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
2.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM453894
Similarity: 1
Similarity to MM453894
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125916
Similarity: 0.9524
Similarity to MM125916
| Tanimoto metric | 0.9524 |
|---|---|
| Cosine metric | 0.9759 |
| Dice metric | 0.9756 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453958
Similarity: 0.875
Similarity to MM453958
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+731 more
