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DocumentationIdentifier: MM299498
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299498 |
| SMILES |
C=C(C)N(C)C(=O)C=CC
|
| InChIKey |
HTUVPBNCGUCTQX-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.55
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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MM160708
Similarity: 0.8099
Similarity to MM160708
| Tanimoto metric | 0.8099 |
|---|---|
| Cosine metric | 0.8999 |
| Dice metric | 0.8949 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74678
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| Tanimoto metric | 0.6725 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.8042 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM174439
Similarity: 0.6549
Similarity to MM174439
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.7915 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
