Common name
6-chloroindolin-2-one
IUPAC name
6-chloroindolin-2-one
SMILES
Clc1ccc2c(c1)NC(=O)C2
Common name
6-chloroindolin-2-one
IUPAC name
6-chloroindolin-2-one
SMILES
Clc1ccc2c(c1)NC(=O)C2
INCHI
InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
FORMULA
C8H6ClNO
Common name
6-chloroindolin-2-one
IUPAC name
6-chloroindolin-2-one
Molecular weight
167.592
clogP
2.493
clogS
-3.043
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00134 | Ziprasidone |
|
Antipsychotic Agents; Serotonin Antagonists; Adrenergic alpha-1 Receptor Antagonists; Dopamine Antagonists; Nervous System; Psycholeptics; Indole Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Antiemetics Antagonists; | For the treatment of schizophrenia and related psychotic disorders. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ccm_ligand_frag_0.mol2 | 5ccm | 1 | -7.42 | Clc1cc2c(CC(=O)N2)cc1 | 11 |
| 4k2y_ligand_frag_0.mol2 | 4k2y | 1 | -7.11 | c12c(ccc(Cl)c1)CC(=O)N2 | 11 |
| 4k2y_ligand.mol2 | 4k2y | 1 | -7.11 | c12c(ccc(Cl)c2)CC(=O)N1 | 12 |
| 4lwt_ligand_frag_0.mol2 | 4lwt | 1 | -6.75 | c12c(CC(=O)N1)ccc(c2)Cl | 11 |
| 4lwt_ligand_1_0.mol2 | 4lwt | 0.97561 | -6.96 | c12c([C@H](C(=O)N1)C)ccc(c2)Cl | 12 |
| 5c7c_ligand_frag_2.mol2 | 5c7c | 0.870588 | -7.12 | C(=O)N1c2c(C(C1)(C)C)ccc(Cl)c2 | 14 |
100 ,
11
