Common name
phenyl(propyl)phosphane
IUPAC name
phenyl(propyl)phosphane
SMILES
CCCPc1ccccc1
Common name
phenyl(propyl)phosphane
IUPAC name
phenyl(propyl)phosphane
SMILES
CCCPc1ccccc1
INCHI
InChI=1S/C9H13P/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
FORMULA
C9H13P
Common name
phenyl(propyl)phosphane
IUPAC name
phenyl(propyl)phosphane
Molecular weight
152.173
clogP
2.522
clogS
-2.930
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03179 | decafentin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ovz_ligand_4_315.mol2 | 2ovz | 0.622222 | -6.76 | CCC[P@@](=O)(c1ccccc1)O | 12 |
| 2bow_ligand.mol2 | 2bow | 0.5625 | -8.44 | P(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 | 26 |
| 2ovz_ligand_3_149.mol2 | 2ovz | 0.534884 | -6.62 | CC[P@](=O)(O)c1ccccc1 | 11 |
| 2bdj_ligand_1_6.mol2 | 2bdj | 0.529412 | -6.05 | P(=O)(C)(C)c1ccccc1 | 10 |
| 4r5g_ligand_2_5.mol2 | 4r5g | 0.529412 | -5.58 | c1(ccccc1)PC#C | 9 |
| 4r5g_ligand_2_6.mol2 | 4r5g | 0.529412 | -5.41 | c1(ccccc1)PC#C | 9 |
| 4r5g_ligand_2_4.mol2 | 4r5g | 0.529412 | -5.27 | P(c1ccccc1)C#C | 9 |
| 4gr3_ligand_4_385.mol2 | 4gr3 | 0.509091 | -6.64 | [P@@](=O)(O)(c1ccc(Br)cc1)CCC | 13 |
| 4gr0_ligand_4_186.mol2 | 4gr0 | 0.509091 | -6.52 | CCC[P@@](=O)(O)c1ccc(Br)cc1 | 13 |
105 ,
11
