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DocumentationIdentifier: MM250854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250854 |
| SMILES |
C=C(CCC)CCC(C)N
|
| InChIKey |
OPOUQSWYLUADQS-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144590
Similarity: 0.942
Similarity to MM144590
| Tanimoto metric | 0.942 |
|---|---|
| Cosine metric | 0.9706 |
| Dice metric | 0.9701 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88009
Similarity: 0.8701
Similarity to MM88009
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.9306 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316286
Similarity: 0.8272
Similarity to MM316286
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9054 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+535 more
