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DocumentationIdentifier: MM291236
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291236 |
| SMILES |
O=CNCCC(O)CCO
|
| InChIKey |
KZEBWAGYTWXDEP-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48467
Similarity: 0.8118
Similarity to MM48467
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73048
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Similarity to MM73048
| Tanimoto metric | 0.6699 |
|---|---|
| Cosine metric | 0.8024 |
| Dice metric | 0.8023 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM299865
Similarity: 0.6471
Similarity to MM299865
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.7857 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
