Common name
N-methylindan-2-amine
IUPAC name
N-methylindan-2-amine
SMILES
C1(Cc2c(cccc2)C1)NC
Common name
N-methylindan-2-amine
IUPAC name
N-methylindan-2-amine
SMILES
C1(Cc2c(cccc2)C1)NC
INCHI
InChI=1S/C10H13N/c1-11-10-6-8-4-2-3-5-9(8)7-10/h2-5,10-11H,6-7H2,1H3
FORMULA
C10H13N
Common name
N-methylindan-2-amine
IUPAC name
N-methylindan-2-amine
Molecular weight
147.217
clogP
2.360
clogS
-2.809
Frequency
0.0007
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
2
Rotatable Bond
1
| 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_1_0.mol2 | 4txe | 1 | -7.56 | C[NH2+]C1Cc2ccccc2C1 | 11 |
| 4txe_ligand_frag_0.mol2 | 4txe | 0.880952 | -7.57 | C1c2ccccc2CC1[NH3+] | 10 |
| 2o7e_ligand_frag_1.mol2 | 2o7e | 0.880952 | -7.56 | C1(Cc2c(C1)cccc2)[NH3+] | 10 |
| 5ak3_ligand_frag_0.mol2 | 5ak3 | 0.880952 | -7.10 | c1ccc2c(c1)CC(C2)[NH3+] | 10 |
| 5ak3_ligand.mol2 | 5ak3 | 0.880952 | -7.10 | c1ccc2c(c1)CC(C2)[NH3+] | 11 |
| 4dkp_ligand_frag_2.mol2 | 4dkp | 0.880952 | -5.60 | c1cc2c(cc1)CC(C2)[NH3+] | 10 |
| 2fxr_ligand_1_11.mol2 | 2fxr | 0.875 | -6.99 | C(=O)NC1Cc2ccccc2C1 | 12 |
| 2fs9_ligand_1_11.mol2 | 2fs9 | 0.875 | -6.93 | C(=O)NC1Cc2c(C1)cccc2 | 12 |
| 4cgj_ligand_1_3.mol2 | 4cgj | 0.875 | -6.87 | c1ccc2c(c1)CC(C2)NC=O | 12 |
| 4cgi_ligand_1_3.mol2 | 4cgi | 0.875 | -6.85 | C(=O)NC1Cc2c(cccc2)C1 | 12 |
123 ,
13
