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DocumentationIdentifier: MM290277
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290277 |
| SMILES |
C=CCCNCC=C(C)C
|
| InChIKey |
KQUFWBVHRZPFAG-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154827
Similarity: 0.8621
Similarity to MM154827
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213382
Similarity: 0.8276
Similarity to MM213382
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290238
Similarity: 0.7576
Similarity to MM290238
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8621 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+662 more
