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DocumentationIdentifier: MM373230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373230 |
| SMILES |
CC1(C#N)NC1CCC#N
|
| InChIKey |
KHTUWJZXYUMICZ-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177106
Similarity: 0.92
Similarity to MM177106
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433087
Similarity: 0.8131
Similarity to MM433087
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.8972 |
| Dice metric | 0.8969 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373222
Similarity: 0.81
Similarity to MM373222
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.895 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+154 more
