Common name
1-aminopropan-2-one
IUPAC name
1-aminopropan-2-one
SMILES
O=C(CN)C
Common name
1-aminopropan-2-one
IUPAC name
1-aminopropan-2-one
SMILES
O=C(CN)C
INCHI
InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
FORMULA
C3H7NO
Common name
1-aminopropan-2-one
IUPAC name
1-aminopropan-2-one
Molecular weight
73.094
clogP
-0.459
clogS
-0.125
Frequency
0.0010
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00715 | Aminolevulinic acid |
|
Antineoplastic Agents; Photosensitizing Agents; Antineoplastic and Immunomodulating Agents; Sensitizers Used in Photodynamic/radiation Therapy; | Aminolevulinic acid plus blue light illumination using a blue light photodynamic therapy illuminator is indicated for the treatment of minimally to moderately thick actinic keratoses of the face or scalp. |
| FDBD00846 | Methyl aminolevulinate |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Sensitizers Used in Photodynamic/radiation Therapy; | For topical use, in combination with 570 to 670 nm wavelength red light illumination, in the treatment of non-hyperkeratotic actinic keratoses of the face and scalp in immunocompetent patients when used in conjunction with lesion preparation (debridement using a sharp dermal curette). |
| FDBD01398 | Hexaminolevulinate |
|
; | Hexaminolevulinate is indicated for use in the cystoscopic detection of non-muscle invasive papillary cancer of the bladder among patients suspected or known to have lesion(s) on the basis of a prior cystoscopy. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tww_ligand_1_1.mol2 | 4tww | 0.777778 | -5.52 | [NH3+][C@H](C=O)C | 5 |
| 4twy_ligand_1_2.mol2 | 4twy | 0.777778 | -5.30 | [NH3+][C@H](C=O)C | 5 |
| 4wy3_ligand_1_0.mol2 | 4wy3 | 0.777778 | -5.19 | C[C@@H](C=O)[NH3+] | 5 |
| 2jg8_ligand_1_0.mol2 | 2jg8 | 0.777778 | -4.93 | C[C@H]([NH3+])C=O | 5 |
| 4tww_ligand_frag_4.mol2 | 4tww | 0.75 | -5.10 | [NH3+]CC=O | 4 |
| 4r18_ligand_frag_0.mol2 | 4r18 | 0.75 | -5.07 | [NH3+]CC=O | 4 |
| 4rhx_ligand_1_3.mol2 | 4rhx | 0.75 | -4.93 | [NH3+]CC=O | 4 |
| 4twy_ligand_frag_4.mol2 | 4twy | 0.75 | -4.91 | [NH3+]CC=O | 4 |
| 4wy3_ligand_frag_0.mol2 | 4wy3 | 0.75 | -4.81 | O=CC[NH3+] | 4 |
| 2jg8_ligand_frag_0.mol2 | 2jg8 | 0.75 | -4.67 | [NH3+]CC=O | 4 |
1631 ,
164
