Responsive image

Common name

6H-indolo[1,2-c][1,3]benzoxazine

IUPAC name

6H-indolo[1,2-c][1,3]benzoxazine

SMILES

C1Oc2c(cccc2)-c3n1c4c(c3)cccc4

Common name

6H-indolo[1,2-c][1,3]benzoxazine

IUPAC name

6H-indolo[1,2-c][1,3]benzoxazine

SMILES

C1Oc2c(cccc2)-c3n1c4c(c3)cccc4

INCHI

InChI=1S/C15H11NO/c1-3-7-13-11(5-1)9-14-12-6-2-4-8-15(12)17-10-16(13)14/h1-9H,10H2

FORMULA

C15H11NO

Responsive image

Common name

6H-indolo[1,2-c][1,3]benzoxazine

IUPAC name

6H-indolo[1,2-c][1,3]benzoxazine





Molecular weight

230.325

clogP

2.584

clogS

-3.393

Frequency

0.0003





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

13.67

Number of Rings

4

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01836 Elbasvir Responsive image ;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1o79_ligand.mol2 1o79 0.580153 -11.06 C1CC[NH+](CC1)Cc1ccc(cc1)[C@H]1CC[C@@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C 32
1eve_ligand.mol2 1eve 0.50365 -9.46 c1(c(cc2c(c1)C(=O)[C@@H](C2)C[C@H]1CC[N@@H+](CC1)Cc1ccccc1)OC)OC 29
2iog_ligand_3_155.mol2 2iog 0.5 -8.29 CO[C@@H]1C[C@@H]2[NH2+][C@@H](c3ccccc3)C[C@H]2CC1 17
2iog_ligand_3_145.mol2 2iog 0.491379 -8.56 O[C@@H]1C[C@@H]2[NH2+][C@@H](c3ccccc3)[C@H](C)[C@H]2CC1 17
2iog_ligand_2_45.mol2 2iog 0.491379 -8.29 O[C@@H]1C[C@@H]2[NH2+][C@@H](c3ccccc3)C[C@H]2CC1 16
103 , 11