Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM291315
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291315 |
| SMILES |
CCNC(C)CNCC#N
|
| InChIKey |
MSDKIRRDKPCOGX-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165776
Similarity: 0.913
Similarity to MM165776
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155800
Similarity: 0.8333
Similarity to MM155800
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.9091 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55604
Similarity: 0.7711
Similarity to MM55604
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8707 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
