Common name
(2S)-2-methoxypropan-1-ol
IUPAC name
(2S)-2-methoxypropan-1-ol
SMILES
C(OC)(C)CO
Common name
(2S)-2-methoxypropan-1-ol
IUPAC name
(2S)-2-methoxypropan-1-ol
SMILES
C(OC)(C)CO
INCHI
InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1
FORMULA
C4H10O2
Common name
(2S)-2-methoxypropan-1-ol
IUPAC name
(2S)-2-methoxypropan-1-ol
Molecular weight
90.121
clogP
-0.042
clogS
-0.176
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00252 | Cidofovir |
|
Antineoplastic Agents; Antiviral Agents; Anti-HIV Agents; Radiation-Sensitizing Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | For the treatment of CMV retinitis in patients with acquired immunodeficiency syndrome (AIDS). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gep_ligand_4_10.mol2 | 3gep | 1 | -5.43 | CO[C@@H](C)CO | 6 |
| 3eor_ligand_4_10.mol2 | 3eor | 1 | -5.19 | C[C@H](CO)OC | 6 |
| 5bsk_ligand_4_30.mol2 | 5bsk | 1 | -5.03 | CO[C@@H](C)CO | 6 |
| 5brn_ligand_4_34.mol2 | 5brn | 1 | -5.01 | CO[C@@H](C)CO | 6 |
| 4rhu_ligand_5_406.mol2 | 4rhu | 1 | -4.95 | CO[C@@H](CO)C | 6 |
| 1d4i_ligand_4_512.mol2 | 1d4i | 0.9 | -5.57 | [C@H](O)(COC)C | 6 |
| 4rhu_ligand_5_336.mol2 | 4rhu | 0.9 | -4.90 | O[C@@H](COC)C | 6 |
102 ,
11
