Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM300989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300989 |
| SMILES |
CCCNCC(O)C(C)O
|
| InChIKey |
RNBDQMXJSOKDPN-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161973
Similarity: 0.9647
Similarity to MM161973
| Tanimoto metric | 0.9647 |
|---|---|
| Cosine metric | 0.9822 |
| Dice metric | 0.982 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300993
Similarity: 0.9231
Similarity to MM300993
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9604 |
| Dice metric | 0.96 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361911
Similarity: 0.8542
Similarity to MM361911
| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9223 |
| Dice metric | 0.9213 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
