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DocumentationIdentifier: MM239226
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239226 |
| SMILES |
COCCCC(C)(O)CN
|
| InChIKey |
JDYDLWAUXLRCPD-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138086
Similarity: 0.8211
Similarity to MM138086
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM307793
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Similarity to MM307793
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8488 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227753
Similarity: 0.6783
Similarity to MM227753
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8084 |
| Dice metric | 0.8083 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
