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DocumentationIdentifier: MM155800
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155800 |
| SMILES |
CNCC(C)NCC#N
|
| InChIKey |
QURHXGXUJIDQTC-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291315
Similarity: 0.8333
Similarity to MM291315
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.9091 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261549
Similarity: 0.7778
Similarity to MM261549
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50513
Similarity: 0.7683
Similarity to MM50513
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.869 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
