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DocumentationIdentifier: MM161371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161371 |
| SMILES |
CC(=NO)C(C)C(C)C
|
| InChIKey |
UWBARGSYXUJFCR-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224021
Similarity: 0.8316
Similarity to MM224021
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.9119 |
| Dice metric | 0.908 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234944
Similarity: 0.767
Similarity to MM234944
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8681 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112213
Similarity: 0.7595
Similarity to MM112213
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8715 |
| Dice metric | 0.8633 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+535 more
