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DocumentationIdentifier: MM264626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264626 |
| SMILES |
CC#CC(N)CC(O)CC
|
| InChIKey |
OWIMSKRTXCWYDH-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.5
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: 0.8036
Similarity to MM47287
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8964 |
| Dice metric | 0.8911 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261751
Similarity: 0.7154
Similarity to MM261751
| Tanimoto metric | 0.7154 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8341 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33114
Similarity: 0.7143
Similarity to MM33114
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8339 |
| Dice metric | 0.8333 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+530 more
