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DocumentationIdentifier: MM365523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365523 |
| SMILES |
C=CC(=C)CCNCCC
|
| InChIKey |
MKZXFSMNXWQZQL-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM87563
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Similarity to MM87563
| Tanimoto metric | 0.971 |
|---|---|
| Cosine metric | 0.9854 |
| Dice metric | 0.9853 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365719
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| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9314 |
| Dice metric | 0.9306 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM88316
Similarity: 0.8481
Similarity to MM88316
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9192 |
| Dice metric | 0.9178 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+614 more
