Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM303843
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303843 |
| SMILES |
C#CCC(C#CC)NC=N
|
| InChIKey |
QASRFXKTMUGTAX-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178359
Similarity: 0.8037
Similarity to MM178359
| Tanimoto metric | 0.8037 |
|---|---|
| Cosine metric | 0.8965 |
| Dice metric | 0.8912 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178112
Similarity: 0.7664
Similarity to MM178112
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8677 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379708
Similarity: 0.7131
Similarity to MM379708
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8325 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
