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DocumentationIdentifier: MM454403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454403 |
| SMILES |
CC#CC#CCNC=NC
|
| InChIKey |
YEFLCVXHNMVHHQ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214427
Similarity: 0.9032
Similarity to MM214427
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216079
Similarity: 0.8226
Similarity to MM216079
| Tanimoto metric | 0.8226 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.9027 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94337
Similarity: 0.7969
Similarity to MM94337
| Tanimoto metric | 0.7969 |
|---|---|
| Cosine metric | 0.8897 |
| Dice metric | 0.887 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
