Common name
ethylcyclohexane
IUPAC name
ethylcyclohexane
SMILES
C(C1CCCCC1)C
Common name
ethylcyclohexane
IUPAC name
ethylcyclohexane
SMILES
C(C1CCCCC1)C
INCHI
InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
FORMULA
C8H16
Common name
ethylcyclohexane
IUPAC name
ethylcyclohexane
Molecular weight
112.213
clogP
2.801
clogS
-2.048
Frequency
0.0010
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00925 | Perhexiline |
|
Vasodilator Agents; Calcium Channel Blockers; Cardiovascular Agents; Cardiovascular System; Non-Selective Calcium Channel Blockers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the management of severe angina pectoris. |
| FDBD01373 | Cariprazine |
|
Cariprazine is an atypical antipsychotic indicated for the treatment of schizophrenia and for the acute treatment of manic or mixed episodes associated with bipolar I |
3 ,
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
