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DocumentationIdentifier: MM33114
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33114 |
| SMILES |
C#CC#CC(N)CC(C)O
|
| InChIKey |
CYSABDWYMMCCFB-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47287
Similarity: 0.8654
Similarity to MM47287
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237677
Similarity: 0.7339
Similarity to MM237677
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8465 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264626
Similarity: 0.7143
Similarity to MM264626
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8333 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
