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DocumentationIdentifier: MM305128
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305128 |
| SMILES |
CC(N)C(O)CC#CCN
|
| InChIKey |
BGXKATJZKISMAI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73848
Similarity: 0.8627
Similarity to MM73848
| Tanimoto metric | 0.8627 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9263 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305126
Similarity: 0.8333
Similarity to MM305126
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9091 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73834
Similarity: 0.7607
Similarity to MM73834
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8641 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
