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DocumentationIdentifier: MM302053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302053 |
| SMILES |
C=C(CNCCC)C(C)O
|
| InChIKey |
OKOZHPOBYBQZPG-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61932
Similarity: 0.94
Similarity to MM61932
| Tanimoto metric | 0.94 |
|---|---|
| Cosine metric | 0.9695 |
| Dice metric | 0.9691 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302057
Similarity: 0.8818
Similarity to MM302057
| Tanimoto metric | 0.8818 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9372 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302363
Similarity: 0.8796
Similarity to MM302363
| Tanimoto metric | 0.8796 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.936 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+654 more
