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DocumentationIdentifier: MM228883
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228883 |
| SMILES |
CC(C)(C#N)C(C)(C)C#N
|
| InChIKey |
ZVQXQPNJHRNGID-UHFFFAOYSA-N
|
| MW [Da] |
136.2
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
MM131018
Similarity: 0.8519
Similarity to MM131018
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76702
Similarity: 0.7879
Similarity to MM76702
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8814 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229841
Similarity: 0.75
Similarity to MM229841
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8571 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
