Common name
9H-fluorene-9-carboxamide
IUPAC name
9H-fluorene-9-carboxamide
SMILES
C1(c2c(cccc2)-c3c1cccc3)C(=O)N
Common name
9H-fluorene-9-carboxamide
IUPAC name
9H-fluorene-9-carboxamide
SMILES
C1(c2c(cccc2)-c3c1cccc3)C(=O)N
INCHI
InChI=1S/C14H11NO/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H2,15,16)
FORMULA
C14H11NO
Common name
9H-fluorene-9-carboxamide
IUPAC name
9H-fluorene-9-carboxamide
Molecular weight
209.243
clogP
2.687
clogS
-3.341
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
3
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00081 | Indecainide |
|
Anti-Arrhythmia Agents; Sodium Channel Blockers; | For the treatment of life-threatening dysrhythmias and sustained ventricular tachycardia. |
| FDBD01537 | Lomitapide |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; CYP3A4 Inhibitors; | Used in homozygous familial hypercholesterolemia (HoFH) patients to reduce low-density lipoprotein cholesterol (LDL-C), total cholesterol (TC), apolipoprotein B (apo B), and non-high-density lipoprotein cholesterol (non-HDL-C). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yki_ligand_1_1.mol2 | 2yki | 0.589744 | -8.68 | c1cccc2C(c3c(c12)cccc3)NC=O | 16 |
| 2ykc_ligand_1_0.mol2 | 2ykc | 0.589744 | -8.62 | c1ccc2c(c1)c1c(C2NC=O)cccc1 | 16 |
| 2ykb_ligand_1_0.mol2 | 2ykb | 0.589744 | -8.59 | c1ccc2c(c1)c1c(C2NC=O)cccc1 | 16 |
| 2ykj_ligand_1_1.mol2 | 2ykj | 0.589744 | -8.58 | N(C=O)C1c2ccccc2c2c1cccc2 | 16 |
| 1gmy_ligand_3_83.mol2 | 1gmy | 0.576271 | -6.43 | c1cc(ccc1)C(C(=O)N)c1ccccc1 | 16 |
| 3f7h_ligand_3_55.mol2 | 3f7h | 0.576271 | -6.20 | c1(ccccc1)C(c1ccccc1)C(=O)N | 16 |
| 2woa_ligand.mol2 | 2woa | 0.542169 | -9.10 | O[C@H](CC(=O)O)CCc1cc2Cc3ccccc3c2cc1 | 22 |
| 4rlk_ligand.mol2 | 4rlk | 0.529412 | -10.09 | O=C(O)c1ccc(/C=N/N=C2c3ccccc3c3ccccc23)cc1 | 26 |
| 4rll_ligand.mol2 | 4rll | 0.529412 | -9.38 | O=C(O)c1ccc(/C=N/N=C2c3ccccc3c3ccccc23)cc1 | 26 |
107 ,
11
