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DocumentationIdentifier: MM268167
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268167 |
| SMILES |
CC=C(C)C=C(C)CC#N
|
| InChIKey |
YULCZFTZWVVDBP-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136480
Similarity: 0.8242
Similarity to MM136480
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274567
Similarity: 0.717
Similarity to MM274567
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8352 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143878
Similarity: 0.7033
Similarity to MM143878
| Tanimoto metric | 0.7033 |
|---|---|
| Cosine metric | 0.8386 |
| Dice metric | 0.8258 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
