Common name
(1R)-1,2,2-trimethyl-5-methylidenecyclopentan-1-ol
IUPAC name
(1R)-1,2,2-trimethyl-5-methylidenecyclopentan-1-ol
SMILES
C[C@]1(C(C)(CCC1=C)C)O
Common name
(1R)-1,2,2-trimethyl-5-methylidenecyclopentan-1-ol
IUPAC name
(1R)-1,2,2-trimethyl-5-methylidenecyclopentan-1-ol
SMILES
C[C@]1(C(C)(CCC1=C)C)O
INCHI
InChI=1S/C9H16O/c1-7-5-6-8(2,3)9(7,4)10/h10H,1,5-6H2,2-4H3/t9-/m0/s1
FORMULA
C9H16O
Common name
(1R)-1,2,2-trimethyl-5-methylidenecyclopentan-1-ol
IUPAC name
(1R)-1,2,2-trimethyl-5-methylidenecyclopentan-1-ol
Molecular weight
140.223
clogP
2.417
clogS
-2.191
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03079 | triticonazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gj5_ligand.mol2 | 2gj5 | 0.826087 | -8.78 | O[C@H]1CCC(=C)[C@@H](C1)CC[C@@H]1CCC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C | 29 |
| 2gj5_ligand_frag_0.mol2 | 2gj5 | 0.73913 | -5.45 | C1CC(CCC1=C)O | 8 |
| 3ihz_ligand_1_4.mol2 | 3ihz | 0.730769 | -6.66 | [C@@H]1(CC[C@@H](CC1)O)/C=C\C | 10 |
| 1fkf_ligand_1_3.mol2 | 1fkf | 0.730769 | -6.43 | [C@@H]1(CC[C@@H](CC1)O)/C=C\C | 10 |
| 1a7x_ligand_1_5.mol2 | 1a7x | 0.730769 | -5.97 | [C@@H]1(CC[C@@H](CC1)O)/C=C\C | 10 |
| 4nnr_ligand_1_4.mol2 | 4nnr | 0.730769 | -5.86 | [C@@H]1(CC[C@@H](CC1)O)/C=C\C | 10 |
| 1qpl_ligand_2_23.mol2 | 1qpl | 0.730769 | -5.80 | [C@@H]1(CC[C@@H](CC1)O)/C=C/C | 10 |
125 ,
13
