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DocumentationIdentifier: MM377623
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377623 |
| SMILES |
CNCC(C=CC#N)OC
|
| InChIKey |
LYEVKMWIRJPHBI-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157723
Similarity: 0.7232
Similarity to MM157723
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81028
Similarity: 0.7222
Similarity to MM81028
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8387 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377547
Similarity: 0.7008
Similarity to MM377547
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8246 |
| Dice metric | 0.8241 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
