Common name
1,1-dimethylguanidine
IUPAC name
1,1-dimethylguanidine
SMILES
C(=N)(N)N(C)C
Common name
1,1-dimethylguanidine
IUPAC name
1,1-dimethylguanidine
SMILES
C(=N)(N)N(C)C
INCHI
1S/C3H9N3/c1-6(2)3(4)5/h1-2H3,(H3,4,5)
FORMULA
C3H9N3
Common name
1,1-dimethylguanidine
IUPAC name
1,1-dimethylguanidine
Molecular weight
87.124
clogP
-1.357
clogS
0.379
Frequency
0.0003
HBond Acceptor
1
HBond Donor
3
Total PolarSurface Area
53.11
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02968 | blasticidin-S |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wn6_ligand_1_6.mol2 | 1wn6 | 1 | -5.36 | CN(C(=N)N)C | 6 |
| 2z3h_ligand_1_4.mol2 | 2z3h | 1 | -5.13 | N(C(=N)N)(C)C | 6 |
| 2jaj_ligand_2_15.mol2 | 2jaj | 0.875 | -5.94 | CNC(=N)NC | 6 |
| 1w9u_ligand_1_1.mol2 | 1w9u | 0.714286 | -4.94 | CNC=[NH2] | 4 |
| 1wn6_ligand_2_20.mol2 | 1wn6 | 0.583333 | -5.53 | CCN(C(=N)N)C | 7 |
150 ,
16
