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DocumentationIdentifier: MM445143
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM445143 |
| SMILES |
C#CC(C#C)N1C(C)C1C
|
| InChIKey |
YFNJUFXWKNOSCJ-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212183
Similarity: 0.9256
Similarity to MM212183
| Tanimoto metric | 0.9256 |
|---|---|
| Cosine metric | 0.9621 |
| Dice metric | 0.9614 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195205
Similarity: 0.8347
Similarity to MM195205
| Tanimoto metric | 0.8347 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124445
Similarity: 0.7603
Similarity to MM124445
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8638 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
