Responsive image

Common name

BLAHone

IUPAC name

BLAHone

SMILES

O=c1n2c(ccc1)C3CC(C2)CNC3

Common name

BLAHone

IUPAC name

BLAHone

SMILES

O=c1n2c(ccc1)C3CC(C2)CNC3

INCHI

InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1

FORMULA

C11H14N2O

Responsive image

Common name

BLAHone

IUPAC name

BLAHone





Molecular weight

190.242

clogP

-2.079

clogS

-1.029

Frequency

0.0003





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

29.1

Number of Rings

3

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01635 Cytisine Responsive image ; Indicated for use in smoking cessation.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3art_ligand_4_119.mol2 3art 0.58042 -6.13 C(CN1[C@H]2C=CC=CC2=C(C=C1C)N)CC 16
3art_ligand_3_44.mol2 3art 0.559441 -6.16 C(CN1[C@H]2C=CC=CC2=C(C=C1C)N)C 15
2z78_ligand_2_95.mol2 2z78 0.54955 -5.95 C(N1C=CC=CC1)C 8
3art_ligand_2_9.mol2 3art 0.545455 -6.16 CCN1[C@H]2C=CC=CC2=C(C=C1C)N 14
3art_ligand_1_0.mol2 3art 0.545455 -6.11 CN1[C@H]2C=CC=CC2=C(C=C1C)N 13
2fm0_ligand_2_41.mol2 2fm0 0.544715 -5.91 C(C1=CC=C[N+](C1)O)C 9
2z78_ligand_1_10.mol2 2z78 0.522523 -5.75 CN1C=CC=CC1 7
104 , 11