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DocumentationIdentifier: MM336087
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM336087 |
| SMILES |
CC=C(C=C(C)CO)CN
|
| InChIKey |
MQCBDFSVTJBHLP-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200895
Similarity: 0.7524
Similarity to MM200895
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8587 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274203
Similarity: 0.7456
Similarity to MM274203
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8543 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM338340
Similarity: 0.7304
Similarity to MM338340
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8442 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+506 more
