Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM62238
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62238 |
| SMILES |
CCNC(=O)C#CCCN
|
| InChIKey |
UWLJVBMQABKGET-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158490
Similarity: 0.8696
Similarity to MM158490
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170631
Similarity: 0.8261
Similarity to MM170631
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71078
Similarity: 0.8119
Similarity to MM71078
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8962 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+487 more
