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DocumentationIdentifier: MM107514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107514 |
| SMILES |
CC=CC(C)NCC
|
| InChIKey |
VBZJDXQLWUBZQF-UHFFFAOYSA-N
|
| MW [Da] |
113.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157202
Similarity: 0.8621
Similarity to MM157202
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135719
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| Tanimoto metric | 0.8621 |
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| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM279411
Similarity: 0.8333
Similarity to MM279411
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+663 more
