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DocumentationIdentifier: MM293788
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293788 |
| SMILES |
CC#CCCC(C)NC=O
|
| InChIKey |
JQQISPDNRMLADR-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304952
Similarity: 0.8488
Similarity to MM304952
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299804
Similarity: 0.6705
Similarity to MM299804
| Tanimoto metric | 0.6705 |
|---|---|
| Cosine metric | 0.8146 |
| Dice metric | 0.8027 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295207
Similarity: 0.6628
Similarity to MM295207
| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.7972 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
