Common name
(2R)-pentan-2-amine
IUPAC name
(2R)-pentan-2-amine
SMILES
C(C(N)C)CC
Common name
(2R)-pentan-2-amine
IUPAC name
(2R)-pentan-2-amine
SMILES
C(C(N)C)CC
INCHI
InChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3/t5-/m1/s1
FORMULA
C5H13N
Common name
(2R)-pentan-2-amine
IUPAC name
(2R)-pentan-2-amine
Molecular weight
87.163
clogP
0.443
clogS
-1.050
Frequency
0.0003
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01261 | Hydroxychloroquine |
|
Antirheumatic Agents; Enzyme Inhibitors; Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the suppressive treatment and treatment of acute attacks of malaria due to . |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fdp_ligand_3_88.mol2 | 2fdp | 1 | -6.26 | C[C@H](CCC)[NH3+] | 6 |
| 1jqe_ligand_4_91.mol2 | 1jqe | 1 | -6.08 | CCC[C@@H](C)[NH3+] | 6 |
| 1cet_ligand_4_35.mol2 | 1cet | 1 | -5.45 | CCC[C@@H](C)[NH3+] | 6 |
| 2v0z_ligand_4_3381.mol2 | 2v0z | 0.888889 | -6.59 | C(C[NH3+])[C@@H](C(C)C)C | 8 |
| 2v12_ligand_4_2730.mol2 | 2v12 | 0.888889 | -6.48 | C(C)(C)[C@H](CC[NH3+])C | 8 |
395 ,
40
