Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM281087
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281087 |
| SMILES |
CCC#CCC(=O)NCC
|
| InChIKey |
BYAMMLYNLRIQHT-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157072
Similarity: 0.8977
Similarity to MM157072
| Tanimoto metric | 0.8977 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9461 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169231
Similarity: 0.8295
Similarity to MM169231
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357011
Similarity: 0.8061
Similarity to MM357011
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.8927 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
