Common name
indan-2-amine
IUPAC name
indan-2-amine
SMILES
C1(Cc2c(cccc2)C1)N
Common name
indan-2-amine
IUPAC name
indan-2-amine
SMILES
C1(Cc2c(cccc2)C1)N
INCHI
InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2
FORMULA
C9H11N
Common name
indan-2-amine
IUPAC name
indan-2-amine
Molecular weight
133.190
clogP
1.997
clogS
-1.998
Frequency
0.0007
HBond Acceptor
0
HBond Donor
2
Total Polar
Surface Area
26.02
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01204 | Aprindine |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ib; CYP2D6 Inducers; CYP2D6 Inducers (strong); | |
| FDBD01358 | Indacaterol |
|
For the long term, once-daily-dosing maintenance of airflow obstruction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and/or emphysema. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4txe_ligand_frag_0.mol2 | 4txe | 1 | -7.57 | C1c2ccccc2CC1[NH3+] | 10 |
| 2o7e_ligand_frag_1.mol2 | 2o7e | 1 | -7.56 | C1(Cc2c(C1)cccc2)[NH3+] | 10 |
| 5ak3_ligand_frag_0.mol2 | 5ak3 | 1 | -7.10 | c1ccc2c(c1)CC(C2)[NH3+] | 10 |
| 5ak3_ligand.mol2 | 5ak3 | 1 | -7.10 | c1ccc2c(c1)CC(C2)[NH3+] | 11 |
| 4dkp_ligand_frag_2.mol2 | 4dkp | 1 | -5.60 | c1cc2c(cc1)CC(C2)[NH3+] | 10 |
| 4txe_ligand_1_0.mol2 | 4txe | 0.880952 | -7.56 | C[NH2+]C1Cc2ccccc2C1 | 11 |
| 4uv8_ligand_4_3873.mol2 | 4uv8 | 0.810811 | -6.31 | C(c1ccccc1)[C@H](CC)[NH3+] | 11 |
| 2fxr_ligand_1_11.mol2 | 2fxr | 0.770833 | -6.99 | C(=O)NC1Cc2ccccc2C1 | 12 |
| 2fs9_ligand_1_11.mol2 | 2fs9 | 0.770833 | -6.93 | C(=O)NC1Cc2c(C1)cccc2 | 12 |
| 4cgj_ligand_1_3.mol2 | 4cgj | 0.770833 | -6.87 | c1ccc2c(c1)CC(C2)NC=O | 12 |
104 ,
11
