Common name
N,N-dimethylprop-2-en-1-amine
IUPAC name
N,N-dimethylprop-2-en-1-amine
SMILES
C(N(C)C)C=C
Common name
N,N-dimethylprop-2-en-1-amine
IUPAC name
N,N-dimethylprop-2-en-1-amine
SMILES
C(N(C)C)C=C
INCHI
InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3
FORMULA
C5H11N
Common name
N,N-dimethylprop-2-en-1-amine
IUPAC name
N,N-dimethylprop-2-en-1-amine
Molecular weight
85.148
clogP
0.228
clogS
-0.734
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00599 | Naftifine |
|
Antifungal Agents; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; | For the topical treatment of tinea pedis, tinea cruris, and tinea corporis caused by the organisms . |
| FDBD00717 | Terbinafine |
|
Antifungal Agents; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; Antifungals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of dermatophyte infections of the toenail or fingernail caused by susceptible fungi. Also for the treatment of tinea capitis (scalp ringworm) and tinea corporis (body ringworm) or tinea cruris (jock itch). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h3b_ligand_3_0.mol2 | 1h3b | 1 | -5.94 | C=CC[NH+](C)C | 6 |
| 1gsz_ligand_3_219.mol2 | 1gsz | 1 | -5.92 | C(=C)C[NH+](C)C | 6 |
| 1o6q_ligand_3_0.mol2 | 1o6q | 1 | -5.92 | C[NH+](C)CC=C | 6 |
| 1o6r_ligand_3_0.mol2 | 1o6r | 1 | -5.91 | C(=C)C[NH+](C)C | 6 |
| 1h35_ligand_3_34.mol2 | 1h35 | 1 | -5.89 | C(=C)C[NH+](C)C | 6 |
| 1h39_ligand_3_0.mol2 | 1h39 | 1 | -5.89 | C[NH+](C)CC=C | 6 |
| 1h3c_ligand_3_0.mol2 | 1h3c | 1 | -5.89 | C(C=C)[NH+](C)C | 6 |
| 1o6h_ligand_3_0.mol2 | 1o6h | 1 | -5.86 | [NH+](C)(C)CC=C | 6 |
| 1w6j_ligand_3_219.mol2 | 1w6j | 1 | -5.86 | C(=C)C[NH+](C)C | 6 |
| 1h3a_ligand_3_0.mol2 | 1h3a | 1 | -5.82 | C[NH+](C)CC=C | 6 |
100 ,
11
