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DocumentationIdentifier: MM376025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376025 |
| SMILES |
CNC(=O)CC#CCCN
|
| InChIKey |
RKOCCKUEXJXVAL-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169231
Similarity: 0.9605
Similarity to MM169231
| Tanimoto metric | 0.9605 |
|---|---|
| Cosine metric | 0.9801 |
| Dice metric | 0.9799 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376135
Similarity: 0.8488
Similarity to MM376135
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9182 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376023
Similarity: 0.8488
Similarity to MM376023
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9182 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
