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DocumentationIdentifier: MM301139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301139 |
| SMILES |
C=COCCC(C)C(C)N
|
| InChIKey |
XRZJDGRKAYVBSX-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161960
Similarity: 0.8427
Similarity to MM161960
| Tanimoto metric | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402368
Similarity: 0.8172
Similarity to MM402368
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8994 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300937
Similarity: 0.7426
Similarity to MM300937
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8523 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+526 more
