Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM420397
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420397 |
| SMILES |
CNCC#CCC1NC1C
|
| InChIKey |
CHXOZPMKFUXDMF-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195621
Similarity: 0.9554
Similarity to MM195621
| Tanimoto metric | 0.9554 |
|---|---|
| Cosine metric | 0.9774 |
| Dice metric | 0.9772 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420390
Similarity: 0.8596
Similarity to MM420390
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.926 |
| Dice metric | 0.9245 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447939
Similarity: 0.8385
Similarity to MM447939
| Tanimoto metric | 0.8385 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9121 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
