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DocumentationIdentifier: MM338340
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM338340 |
| SMILES |
C=C(C=C(CO)CO)CN
|
| InChIKey |
GWMGBMFCUHKUAZ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72495
Similarity: 0.7368
Similarity to MM72495
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8485 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336087
Similarity: 0.7304
Similarity to MM336087
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8442 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150959
Similarity: 0.7234
Similarity to MM150959
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+513 more
