Responsive image

Common name

BLAH

IUPAC name

BLAH

SMILES

Cl(O)O

Common name

BLAH

IUPAC name

BLAH

SMILES

Cl(O)O

INCHI

InChI=1S/ClH3O2/c2-1-3/h1-3H

FORMULA

ClH3O2

Responsive image

Common name

BLAH

IUPAC name

BLAH





Molecular weight

69.468

clogP

-1.614

clogS

0.797

Frequency

0.0003





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

40.46

Number of Rings

0

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01368 WF10 Responsive image ; Investigated for use/treatment in acquired immune deficiency syndrome (AIDS) and aids-related infections, cancer/tumors (unspecified), HIV infection, and inflammatory disorders (unspecified).
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4cps_ligand_1_5.mol2 4cps 0.285714 -5.14 [NH2]=NC=O 4
4cpx_ligand_1_5.mol2 4cpx 0.285714 -5.12 N(=[NH2])C=O 4
3dp0_ligand_1_1.mol2 3dp0 0.285714 -5.08 C(=O)N=N 4
3doz_ligand_1_1.mol2 3doz 0.285714 -5.06 N(=N)C=O 4
3doy_ligand_1_1.mol2 3doy 0.285714 -5.05 C(=O)N=N 4
3dp2_ligand_1_1.mol2 3dp2 0.285714 -5.05 N(=N)C=O 4
3dp3_ligand_1_2.mol2 3dp3 0.285714 -5.04 C(=O)N=N 4
4362 , 437