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DocumentationIdentifier: MM91422
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91422 |
| SMILES |
CNCCC(COC)NC
|
| InChIKey |
ZFMZBLOHZILAIL-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198530
Similarity: 0.7474
Similarity to MM198530
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8554 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81785
Similarity: 0.7257
Similarity to MM81785
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.841 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90407
Similarity: 0.7227
Similarity to MM90407
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.839 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+432 more
