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DocumentationIdentifier: MM281180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281180 |
| SMILES |
C=CC#CCC(=O)CC#N
|
| InChIKey |
LLUWHWUGWBDIBP-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169250
Similarity: 0.7614
Similarity to MM169250
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8645 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70617
Similarity: 0.7374
Similarity to MM70617
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8488 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281224
Similarity: 0.7128
Similarity to MM281224
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8359 |
| Dice metric | 0.8323 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
