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DocumentationIdentifier: MM45746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45746 |
| SMILES |
CCNC(C)(C)C#N
|
| InChIKey |
HOFRQIRBOREDMY-UHFFFAOYSA-N
|
| MW [Da] |
112.18
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130692
Similarity: 0.8833
Similarity to MM130692
| Tanimoto metric | 0.8833 |
|---|---|
| Cosine metric | 0.9399 |
| Dice metric | 0.9381 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138453
Similarity: 0.8689
Similarity to MM138453
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.9298 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220679
Similarity: 0.8548
Similarity to MM220679
| Tanimoto metric | 0.8548 |
|---|---|
| Cosine metric | 0.9246 |
| Dice metric | 0.9217 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
