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DocumentationIdentifier: MM204071
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM204071 |
| SMILES |
CC(O)C(C#N)NCC#N
|
| InChIKey |
MPCRVVBQCVOTOZ-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46809
Similarity: 0.8824
Similarity to MM46809
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM204069
Similarity: 0.7292
Similarity to MM204069
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8434 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM203528
Similarity: 0.6891
Similarity to MM203528
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8159 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
