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DocumentationIdentifier: MM287905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287905 |
| SMILES |
CC(=O)OCCC#CC#N
|
| InChIKey |
UHWMGOYXPQSTSD-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153073
Similarity: 0.8395
Similarity to MM153073
| Tanimoto metric | 0.8395 |
|---|---|
| Cosine metric | 0.9162 |
| Dice metric | 0.9128 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287863
Similarity: 0.7816
Similarity to MM287863
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8774 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214324
Similarity: 0.7531
Similarity to MM214324
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
