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DocumentationIdentifier: MM58101
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58101 |
| SMILES |
CC(=O)NCC(C)(C)C#N
|
| InChIKey |
HIWUSPMLOUUDSB-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81590
Similarity: 0.7647
Similarity to MM81590
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8667 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41895
Similarity: 0.7234
Similarity to MM41895
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317480
Similarity: 0.6695
Similarity to MM317480
| Tanimoto metric | 0.6695 |
|---|---|
| Cosine metric | 0.8029 |
| Dice metric | 0.802 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+521 more
