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DocumentationIdentifier: MM287372
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287372 |
| SMILES |
N=C(N)CCOCC=NO
|
| InChIKey |
RNTIJOYMHUEKOA-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213270
Similarity: 0.75
Similarity to MM213270
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235731
Similarity: 0.7021
Similarity to MM235731
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.825 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105626
Similarity: 0.7
Similarity to MM105626
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
