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DocumentationIdentifier: MM60118
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60118 |
| SMILES |
CC(C)NC(=O)C#CCO
|
| InChIKey |
KSRMPMFKQBQKKK-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158491
Similarity: 0.8265
Similarity to MM158491
| Tanimoto metric | 0.8265 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358629
Similarity: 0.7281
Similarity to MM358629
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8426 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71075
Similarity: 0.7232
Similarity to MM71075
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8394 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
