Common name
(1R)-1-[(1R,2S,4S)-norbornan-2-yl]propan-1-ol
IUPAC name
(1R)-1-[(1R,2S,4S)-norbornan-2-yl]propan-1-ol
SMILES
CCC(C1C2CC(C1)CC2)O
Common name
(1R)-1-[(1R,2S,4S)-norbornan-2-yl]propan-1-ol
IUPAC name
(1R)-1-[(1R,2S,4S)-norbornan-2-yl]propan-1-ol
SMILES
CCC(C1C2CC(C1)CC2)O
INCHI
InChI=1S/C10H18O/c1-2-10(11)9-6-7-3-4-8(9)5-7/h7-11H,2-6H2,1H3/t7-,8+,9-,10+/m0/s1
FORMULA
C10H18O
Common name
(1R)-1-[(1R,2S,4S)-norbornan-2-yl]propan-1-ol
IUPAC name
(1R)-1-[(1R,2S,4S)-norbornan-2-yl]propan-1-ol
Molecular weight
154.249
clogP
2.161
clogS
-1.377
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total Polar
Surface Area
20.23
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00672 | Biperiden |
|
Antiparkinson Agents; Muscarinic Antagonists; Parasympatholytics; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Anticholinergics; Tertiary Amines; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For use as an adjunct in the therapy of all forms of parkinsonism and control of extrapyramidal disorders secondary to neuroleptic drug therapy. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xnw_ligand_2_6.mol2 | 4xnw | 0.933333 | -6.07 | O[C@H]1CC[C@@H]2[C@@]1(C)C2 | 8 |
| 4xnw_ligand_2_11.mol2 | 4xnw | 0.933333 | -5.89 | C([C@]12CCC[C@H]1C2)O | 8 |
| 2zmj_ligand_3_17.mol2 | 2zmj | 0.928571 | -8.31 | C1[C@H]2C[C@H]3C[C@@]1(C[C@H](C3)C2)C[C@@H](C)O | 14 |
| 2zmj_ligand_2_13.mol2 | 2zmj | 0.928571 | -7.94 | C1[C@H]2C[C@H]3C[C@@]1(C[C@H](C3)C2)CCO | 13 |
| 4mm7_ligand_2_0.mol2 | 4mm7 | 0.928571 | -7.38 | C(C1(CCCCC1)O)C | 9 |
| 1fq4_ligand_4_1490.mol2 | 1fq4 | 0.928571 | -7.24 | [C@@H](O)(C)CCC1CCCCC1 | 11 |
| 1fq7_ligand_4_2990.mol2 | 1fq7 | 0.928571 | -7.23 | C(C[C@@H](O)C)C1CCCCC1 | 11 |
184 ,
19
