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DocumentationIdentifier: MM413339
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413339 |
| SMILES |
C=CC(=CF)CCNCC
|
| InChIKey |
ZCPMWRINBQNXRW-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM96213
Similarity: 0.8557
Similarity to MM96213
| Tanimoto metric | 0.8557 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88451
Similarity: 0.7374
Similarity to MM88451
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8488 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377068
Similarity: 0.7368
Similarity to MM377068
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8485 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
