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DocumentationIdentifier: MM240420
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240420 |
| SMILES |
CCC(C)(C)OC=CC#N
|
| InChIKey |
ZCYUZVFTVQIILH-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138602
Similarity: 0.8161
Similarity to MM138602
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168198
Similarity: 0.7931
Similarity to MM168198
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240339
Similarity: 0.7553
Similarity to MM240339
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8606 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+497 more
