Common name
(3R)-hexan-3-ol
IUPAC name
(3R)-hexan-3-ol
SMILES
CCC(O)CCC
Common name
(3R)-hexan-3-ol
IUPAC name
(3R)-hexan-3-ol
SMILES
CCC(O)CCC
INCHI
InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m1/s1
FORMULA
C6H14O
Common name
(3R)-hexan-3-ol
IUPAC name
(3R)-hexan-3-ol
Molecular weight
102.175
clogP
1.107
clogS
-1.267
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00256 | Treprostinil |
|
Antithrombins; Anticoagulants; Antihypertensive Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For use as a continuous subcutaneous infusion or intravenous infusion (for those not able to tolerate a subcutaneous infusion) for the treatment of pulmonary arterial hypertension in patients with NYHA Class II-IV symptoms to diminish symptoms associated with exercise. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g85_ligand_4_0.mol2 | 1g85 | 1 | -6.56 | [C@@H](O)(CC)CCC | 7 |
| 3a73_ligand_4_327.mol2 | 3a73 | 1 | -6.53 | CC[C@H](CCC)O | 7 |
| 3dzt_ligand_5_1001.mol2 | 3dzt | 1 | -6.49 | CCC[C@@H](O)CC | 7 |
| 2p4j_ligand_4_1337.mol2 | 2p4j | 1 | -6.25 | C(CC)[C@@H](CC)O | 7 |
| 3ixk_ligand_4_3188.mol2 | 3ixk | 1 | -6.24 | CC[C@H](CCC)O | 7 |
155 ,
16
