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DocumentationIdentifier: MM355083
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355083 |
| SMILES |
CCC(O)C(N)C=CCN
|
| InChIKey |
IAZPUGBCYRZHRV-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173945
Similarity: 0.8534
Similarity to MM173945
| Tanimoto metric | 0.8534 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355307
Similarity: 0.7353
Similarity to MM355307
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8475 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352840
Similarity: 0.6618
Similarity to MM352840
| Tanimoto metric | 0.6618 |
|---|---|
| Cosine metric | 0.7967 |
| Dice metric | 0.7965 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
