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DocumentationIdentifier: MM61203
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61203 |
| SMILES |
C=CCC(=C)C(N)C(C)O
|
| InChIKey |
CWBFBLUFHJNWPV-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
MM348778
Similarity: 0.6959
Similarity to MM348778
| Tanimoto metric | 0.6959 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.8207 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59515
Similarity: 0.6712
Similarity to MM59515
| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8033 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253959
Similarity: 0.6517
Similarity to MM253959
| Tanimoto metric | 0.6517 |
|---|---|
| Cosine metric | 0.7891 |
| Dice metric | 0.7891 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
