Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM378730
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378730 |
| SMILES |
C=CC(=N)N(C=C)CC#N
|
| InChIKey |
PCEYLVMERUETMS-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78715
Similarity: 0.7164
Similarity to MM78715
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91336
Similarity: 0.709
Similarity to MM91336
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.842 |
| Dice metric | 0.8297 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350873
Similarity: 0.6857
Similarity to MM350873
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.817 |
| Dice metric | 0.8136 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
