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DocumentationIdentifier: MM246235
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246235 |
| SMILES |
C=C(CN)CC(=C)C(C)C
|
| InChIKey |
LMVDBIXRKNTTQW-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.1
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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MM142518
Similarity: 0.7527
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| Tanimoto metric | 0.7527 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.8589 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91944
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| Tanimoto metric | 0.6893 |
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| Cosine metric | 0.818 |
| Dice metric | 0.8161 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM133860
Similarity: 0.6774
Similarity to MM133860
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.8077 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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