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DocumentationIdentifier: MM69180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69180 |
| SMILES |
CC(=O)C#CCOCC#N
|
| InChIKey |
VDHURKOKZVRMTO-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
MM154600
Similarity: 0.8354
Similarity to MM154600
| Tanimoto metric | 0.8354 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.9103 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69175
Similarity: 0.7816
Similarity to MM69175
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8774 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289848
Similarity: 0.7586
Similarity to MM289848
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8627 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
