Common name
(1S,2R)-2-propan-2-ylcyclopentan-1-ol
IUPAC name
(1S,2R)-2-propan-2-ylcyclopentan-1-ol
SMILES
[C@H]1([C@H](CCC1)O)C(C)C
Common name
(1S,2R)-2-propan-2-ylcyclopentan-1-ol
IUPAC name
(1S,2R)-2-propan-2-ylcyclopentan-1-ol
SMILES
[C@H]1([C@H](CCC1)O)C(C)C
INCHI
InChI=1S/C8H16O/c1-6(2)7-4-3-5-8(7)9/h6-9H,3-5H2,1-2H3/t7-,8+/m1/s1
FORMULA
C8H16O
Common name
(1S,2R)-2-propan-2-ylcyclopentan-1-ol
IUPAC name
(1S,2R)-2-propan-2-ylcyclopentan-1-ol
Molecular weight
128.212
clogP
1.700
clogS
-1.015
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03065 | ipconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ym4_ligand_3_120.mol2 | 1ym4 | 1 | -6.56 | CC[C@H](C1CCCC1)O | 9 |
| 1ym4_ligand_2_17.mol2 | 1ym4 | 1 | -6.41 | C[C@H](C1CCCC1)O | 8 |
| 1gt3_ligand.mol2 | 1gt3 | 0.923077 | -7.80 | CC[C@@H](CCCC(C)(C)O)C | 12 |
| 1g85_ligand.mol2 | 1g85 | 0.923077 | -7.03 | CC[C@@H](O)CCCCC | 10 |
| 3gzn_ligand_1_1.mol2 | 3gzn | 0.923077 | -6.52 | C1C[C@H]([C@H](C1)O)C | 7 |
| 1ym4_ligand_1_3.mol2 | 1ym4 | 0.923077 | -6.05 | C1(CCCC1)CO | 7 |
| 4xnw_ligand_2_6.mol2 | 4xnw | 0.866667 | -6.07 | O[C@H]1CC[C@@H]2[C@@]1(C)C2 | 8 |
| 4xnw_ligand_2_11.mol2 | 4xnw | 0.866667 | -5.89 | C([C@]12CCC[C@H]1C2)O | 8 |
| 2zmj_ligand_3_17.mol2 | 2zmj | 0.857143 | -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 | 0.857143 | -7.94 | C1[C@H]2C[C@H]3C[C@@]1(C[C@H](C3)C2)CCO | 13 |
101 ,
11
