Common name
carbon dioxide
IUPAC name
carbon dioxide
SMILES
O=C=O
Common name
carbon dioxide
IUPAC name
carbon dioxide
SMILES
O=C=O
INCHI
InChI=1S/CO2/c2-1-3
FORMULA
CO2
Common name
carbon dioxide
IUPAC name
carbon dioxide
Molecular weight
44.010
clogP
0.089
clogS
0.506
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
34.14
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01724 | Carbon dioxide |
|
Medical Gases; |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zz3_ligand_1_2.mol2 | 1zz3 | 0.25 | -5.71 | CC=O | 3 |
| 2ntf_ligand_1_7.mol2 | 2ntf | 0.25 | -5.59 | CC=O | 3 |
| 2vl1_ligand_frag_1.mol2 | 2vl1 | 0.25 | -5.59 | C(=O)N | 3 |
| 1wdn_ligand_frag_3.mol2 | 1wdn | 0.25 | -5.56 | C(=O)N | 3 |
| 3as2_ligand_frag_5.mol2 | 3as2 | 0.25 | -5.56 | C(=O)C | 3 |
| 2aa6_ligand_frag_1.mol2 | 2aa6 | 0.25 | -5.55 | C(=O)C | 3 |
| 1d7j_ligand_frag_0.mol2 | 1d7j | 0.25 | -5.54 | C(=O)C | 3 |
4582 ,
459
