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DocumentationIdentifier: MM175793
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175793 |
| SMILES |
C=CCC(C)=C(C)CC
|
| InChIKey |
PNASMNGXILFVEQ-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.31
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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| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9111 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.92 |
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Total active interactions
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MM108969
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Similarity to MM108969
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
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| MW: | 110.2 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+793 more
