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DocumentationIdentifier: MM58530
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58530 |
| SMILES |
CC(C)(C)C(C#N)NC=O
|
| InChIKey |
DTWUHGUIBVUVBI-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
MM315400
Similarity: 0.6602
Similarity to MM315400
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.8125 |
| Dice metric | 0.7953 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37586
Similarity: 0.6311
Similarity to MM37586
| Tanimoto metric | 0.6311 |
|---|---|
| Cosine metric | 0.7944 |
| Dice metric | 0.7738 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275122
Similarity: 0.6115
Similarity to MM275122
| Tanimoto metric | 0.6115 |
|---|---|
| Cosine metric | 0.7614 |
| Dice metric | 0.7589 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+124 more
