Log in
Browse
Membranes
Methods
Transporters
Sets
Search
Statistics
Lab
Documentation

Dicyanomethyl Prop-2-enoate

2D Structure
3D Structure
Source:
General
Identifier MM02436
SMILES C=CC(=O)OC(C#N)C#N
InChIKey NXSVCLVLRVNERG-UHFFFAOYSA-N
MW [Da] 136.11

Automatically obtained from RDkit software.
LogP 0.13

Automatically obtained from RDkit software.
Links

PubChem

 57793798

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
Dicyanomethyl Acetate
Similarity: 0.7374
Similarity to Dicyanomethyl Acetate
Tanimoto metric 0.7374
Cosine metric 0.8587
Dice metric 0.8488
MW:
124.1
PI:
3
Total passive interactions
Dicyanomethyl Prop-2-enoate
 2
Dicyanomethyl Acetate
 3
LogP:
-0.03
AI:
0
Total active interactions
Dicyanomethyl Prop-2-enoate
 0
Dicyanomethyl Acetate
 0
MM65416
Similarity: 0.7355
Similarity to MM65416
Tanimoto metric 0.7355
Cosine metric 0.849
Dice metric 0.8476
MW:
140.14
PI:
1
Total passive interactions
Dicyanomethyl Prop-2-enoate
 2
MM65416
 1
LogP:
-0.09
AI:
0
Total active interactions
Dicyanomethyl Prop-2-enoate
 0
MM65416
 0
MM227108
Similarity: 0.7355
Similarity to MM227108
Tanimoto metric 0.7355
Cosine metric 0.849
Dice metric 0.8476
MW:
139.15
PI:
3
Total passive interactions
Dicyanomethyl Prop-2-enoate
 2
MM227108
 3
LogP:
1.02
AI:
0
Total active interactions
Dicyanomethyl Prop-2-enoate
 0
MM227108
 0
+36 more

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.