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DocumentationIdentifier: MM15849
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15849 |
| SMILES |
C#CCC(=O)COCC#N
|
| InChIKey |
PRBCRXISLTXKQQ-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292456
Similarity: 0.7723
Similarity to MM292456
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8715 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292457
Similarity: 0.7383
Similarity to MM292457
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8495 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251020
Similarity: 0.7222
Similarity to MM251020
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8387 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
