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DocumentationIdentifier: MM68010
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68010 |
| SMILES |
CNCC(OC=O)C(C)C
|
| InChIKey |
BSMPGYZRKUBCID-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM67583
Similarity: 0.7946
Similarity to MM67583
| Tanimoto metric | 0.7946 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8856 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243050
Similarity: 0.6438
Similarity to MM243050
| Tanimoto metric | 0.6438 |
|---|---|
| Cosine metric | 0.7851 |
| Dice metric | 0.7833 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375976
Similarity: 0.6111
Similarity to MM375976
| Tanimoto metric | 0.6111 |
|---|---|
| Cosine metric | 0.7591 |
| Dice metric | 0.7586 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
