Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM451384
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451384 |
| SMILES |
N#CCNC=NCCCO
|
| InChIKey |
SJEAUSKSDOCEHR-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57342
Similarity: 0.8382
Similarity to MM57342
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93978
Similarity: 0.6962
Similarity to MM93978
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.8209 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451932
Similarity: 0.6951
Similarity to MM451932
| Tanimoto metric | 0.6951 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8201 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
