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DocumentationIdentifier: MM278996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM278996 |
| SMILES |
CC#CCNC(=O)CNC
|
| InChIKey |
RLRVKOTYFSROHN-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156355
Similarity: 0.8409
Similarity to MM156355
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370758
Similarity: 0.7872
Similarity to MM370758
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.881 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33491
Similarity: 0.6136
Similarity to MM33491
| Tanimoto metric | 0.6136 |
|---|---|
| Cosine metric | 0.7833 |
| Dice metric | 0.7606 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
