Common name
adamantane
IUPAC name
adamantane
SMILES
C12CC3CC(C1)CC(C2)C3
Common name
adamantane
IUPAC name
adamantane
SMILES
C12CC3CC(C1)CC(C2)C3
INCHI
InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+
FORMULA
C10H16
Common name
adamantane
IUPAC name
adamantane
Molecular weight
136.234
clogP
2.733
clogS
-1.695
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
3
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00098 | Adapalene |
|
Anti-Inflammatory Agents, Non-Steroidal; Dermatologic Agents; Anti-Acne Preparations; Dermatologicals; Retinoids for Topical Use in Acne; Anti-Acne Preparations for Topical Use; | For the topical treatment of comedo, papular and pustular acne (acne vulgaris) of the face, chest or back. |
| FDBD00351 | Rimantadine |
|
Antiviral Agents; Nucleic Acid Synthesis Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cyclic Amines; | For the prophylaxis and treatment of illness caused by various strains of influenza A virus in adults. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zmj_ligand_frag_1.mol2 | 2zmj | 1 | -7.69 | C1[C@H]2C[C@H]3C[C@@H]1C[C@H](C3)C2 | 10 |
| 5alz_ligand_frag_2.mol2 | 5alz | 1 | -7.67 | [C@@H]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 | 10 |
| 3hy5_ligand_frag_0.mol2 | 3hy5 | 1 | -7.64 | C1(CCC[C@H](C1)C)(C)C | 9 |
| 4ciz_ligand_frag_0.mol2 | 4ciz | 1 | -7.58 | C1(CCC[C@@H](C1)C)(C)C | 9 |
| 4y2x_ligand_frag_1.mol2 | 4y2x | 1 | -7.55 | C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3 | 10 |
| 5am3_ligand_frag_3.mol2 | 5am3 | 1 | -7.48 | C1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3 | 10 |
| 4fxy_ligand_frag_4.mol2 | 4fxy | 1 | -7.47 | C1[C@@H]2C[C@@H]3C[C@H]1C[C@@H](C3)C2 | 10 |
254 ,
26
