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DocumentationIdentifier: MM301292
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301292 |
| SMILES |
CC(CC#N)=C(C)C(C)C
|
| InChIKey |
KWRLXQNCSXNJIO-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354249
Similarity: 0.8265
Similarity to MM354249
| Tanimoto metric | 0.8265 |
|---|---|
| Cosine metric | 0.9074 |
| Dice metric | 0.905 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136398
Similarity: 0.759
Similarity to MM136398
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163804
Similarity: 0.759
Similarity to MM163804
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+563 more
