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DocumentationIdentifier: MM199152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199152 |
| SMILES |
C=CC(C=C)CCCN
|
| InChIKey |
PNFFBEQXOMLLOU-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.71
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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MM112763
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| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 113.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.803 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM404033
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| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
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| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
