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DocumentationIdentifier: MM102979
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102979 |
| SMILES |
CCNC(C)(C)CC
|
| InChIKey |
XFNDIVLWLWFLGD-UHFFFAOYSA-N
|
| MW [Da] |
115.22
Automatically obtained from RDkit software. |
| LogP |
1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130634
Similarity: 0.8727
Similarity to MM130634
| Tanimoto metric | 0.8727 |
|---|---|
| Cosine metric | 0.9342 |
| Dice metric | 0.932 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138161
Similarity: 0.8571
Similarity to MM138161
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220630
Similarity: 0.8421
Similarity to MM220630
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 143.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+825 more
