Common name
butan-1-amine
IUPAC name
butan-1-amine
SMILES
C(CCN)C
Common name
butan-1-amine
IUPAC name
butan-1-amine
SMILES
C(CCN)C
INCHI
InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
FORMULA
C4H11N
Common name
butan-1-amine
IUPAC name
butan-1-amine
Molecular weight
73.137
clogP
0.198
clogS
-0.986
Frequency
0.0106
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
2
31 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b1h_ligand_3_454.mol2 | 1b1h | 1 | -5.96 | CCCC[NH3+] | 5 |
| 1b6h_ligand_3_363.mol2 | 1b6h | 1 | -5.96 | C(CC)C[NH3+] | 5 |
| 1b6h_ligand_3_78.mol2 | 1b6h | 1 | -5.96 | C(CC[NH3+])C | 5 |
| 1b7h_ligand_3_91.mol2 | 1b7h | 1 | -5.96 | CCCC[NH3+] | 5 |
| 5er1_ligand_2_0.mol2 | 5er1 | 1 | -5.96 | C(C(C)C)C[NH3+] | 6 |
| 1b0h_ligand_3_12.mol2 | 1b0h | 1 | -5.95 | C([NH3+])CCC | 5 |
| 1b32_ligand_3_91.mol2 | 1b32 | 1 | -5.95 | CCCC[NH3+] | 5 |
| 1b4z_ligand_3_11.mol2 | 1b4z | 1 | -5.95 | C(CC[NH3+])C | 5 |
| 1b52_ligand_3_11.mol2 | 1b52 | 1 | -5.95 | C([NH3+])CCC | 5 |
| 1b9j_ligand_3_12.mol2 | 1b9j | 1 | -5.95 | CCCC[NH3+] | 5 |
295 ,
30
