Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM403331
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403331 |
| SMILES |
C=COCCC(C#N)NC
|
| InChIKey |
DDVPEJWMLSIPNP-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
MM45136
Similarity: 0.8173
Similarity to MM45136
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402889
Similarity: 0.7203
Similarity to MM402889
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8374 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165753
Similarity: 0.7019
Similarity to MM165753
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8249 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+246 more
