Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM48114
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48114 |
| SMILES |
C=CC(O)C(C)NCC#N
|
| InChIKey |
PWFCEVFILFCOGO-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81193
Similarity: 0.8167
Similarity to MM81193
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.8991 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59989
Similarity: 0.7388
Similarity to MM59989
| Tanimoto metric | 0.7388 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8498 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46614
Similarity: 0.695
Similarity to MM46614
| Tanimoto metric | 0.695 |
|---|---|
| Cosine metric | 0.8201 |
| Dice metric | 0.8201 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
