Common name
4-methylpentan-1-amine
IUPAC name
4-methylpentan-1-amine
SMILES
C(C)(C)CCCN
Common name
4-methylpentan-1-amine
IUPAC name
4-methylpentan-1-amine
SMILES
C(C)(C)CCCN
INCHI
InChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3
FORMULA
C6H15N
Common name
4-methylpentan-1-amine
IUPAC name
4-methylpentan-1-amine
Molecular weight
101.190
clogP
0.869
clogS
-1.481
Frequency
0.0007
HBond Acceptor
0
HBond Donor
2
Total Polar
Surface Area
26.02
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00118 | Pregabalin |
|
Anti-Anxiety Agents; Analgesics; Anticonvulsants; Calcium Channel Blockers; Nervous System; Antiepileptics; | Pregabalin is used for the management of neuropathic pain associated with diabetic peripheral neuropathy or spinal cord injury, and postherpetic neuralgia. It is also used as adjunctive therapy for adult patients with partial onset seizures and management of fibromyalgia. |
| FDBD01633 | Aliskiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; CYP3A4 Inhibitors; | For the treatment of hypertension, to lower blood pressure. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v0z_ligand_4_3381.mol2 | 2v0z | 1 | -6.59 | C(C[NH3+])[C@@H](C(C)C)C | 8 |
| 2v12_ligand_4_2730.mol2 | 2v12 | 1 | -6.48 | C(C)(C)[C@H](CC[NH3+])C | 8 |
| 2v0z_ligand_3_804.mol2 | 2v0z | 1 | -6.34 | C(C[NH3+])CC(C)C | 7 |
| 2v10_ligand_4_1694.mol2 | 2v10 | 1 | -6.33 | C[C@H](C(C)C)CC[NH3+] | 8 |
100 ,
11
