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DocumentationIdentifier: MM375823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375823 |
| SMILES |
CN(C=O)CC#CCCN
|
| InChIKey |
DYOVIRSWGFAGOL-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169142
Similarity: 0.8919
Similarity to MM169142
| Tanimoto metric | 0.8919 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9429 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375911
Similarity: 0.8272
Similarity to MM375911
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9054 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375821
Similarity: 0.7952
Similarity to MM375821
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8859 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
