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DocumentationIdentifier: MM451319
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451319 |
| SMILES |
NCCCCC=COC=O
|
| InChIKey |
PUDRJURGWVLYQP-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM451695
Similarity: 0.7571
Similarity to MM451695
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8618 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86356
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| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8455 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM451697
Similarity: 0.6883
Similarity to MM451697
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8154 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+536 more
