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DocumentationIdentifier: MM180964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180964 |
| SMILES |
CC(C)C(C#N)C(C)C
|
| InChIKey |
FSCFMUWAEFAUJX-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
2.44
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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MM38568
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| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111535
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| Tanimoto metric | 0.7917 |
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| Cosine metric | 0.884 |
| Dice metric | 0.8837 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160004
Similarity: 0.7778
Similarity to MM160004
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.875 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
