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DocumentationIdentifier: MM158491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158491 |
| SMILES |
CCNC(=O)C#CCO
|
| InChIKey |
QFMRKRFUOQWTSM-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71075
Similarity: 0.8526
Similarity to MM71075
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358637
Similarity: 0.8526
Similarity to MM358637
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60118
Similarity: 0.8265
Similarity to MM60118
| Tanimoto metric | 0.8265 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+501 more
