Responsive image

Common name

(1R,3S,4R,5R)-4-[(Z)-but-2-enyl]-5-methyl-cyclopentane-1,3-diol

IUPAC name

(1R,3S,4R,5R)-4-[(Z)-but-2-enyl]-5-methyl-cyclopentane-1,3-diol

SMILES

CC=CCC1C(C(CC1O)O)C

Common name

(1R,3S,4R,5R)-4-[(Z)-but-2-enyl]-5-methyl-cyclopentane-1,3-diol

IUPAC name

(1R,3S,4R,5R)-4-[(Z)-but-2-enyl]-5-methyl-cyclopentane-1,3-diol

SMILES

CC=CCC1C(C(CC1O)O)C

INCHI

InChI=1S/C10H18O2/c1-3-4-5-8-7(2)9(11)6-10(8)12/h3-4,7-12H,5-6H2,1-2H3/b4-3-/t7-,8-,9-,10+/m1/s1

FORMULA

C10H18O2

Responsive image

Common name

(1R,3S,4R,5R)-4-[(Z)-but-2-enyl]-5-methyl-cyclopentane-1,3-diol

IUPAC name

(1R,3S,4R,5R)-4-[(Z)-but-2-enyl]-5-methyl-cyclopentane-1,3-diol





Molecular weight

170.249

clogP

1.217

clogS

-0.459

Frequency

0.0003





HBond Acceptor

2

HBond Donor

2

Total Polar
Surface Area

40.46

Number of Rings

1

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00519 Latanoprost Responsive image Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; For the reduction of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3ihz_ligand_1_4.mol2 3ihz 0.793103 -6.66 [C@@H]1(CC[C@@H](CC1)O)/C=C\C 10
1fkf_ligand_1_3.mol2 1fkf 0.793103 -6.43 [C@@H]1(CC[C@@H](CC1)O)/C=C\C 10
1a7x_ligand_1_5.mol2 1a7x 0.793103 -5.97 [C@@H]1(CC[C@@H](CC1)O)/C=C\C 10
4nnr_ligand_1_4.mol2 4nnr 0.793103 -5.86 [C@@H]1(CC[C@@H](CC1)O)/C=C\C 10
1qpl_ligand_2_23.mol2 1qpl 0.793103 -5.80 [C@@H]1(CC[C@@H](CC1)O)/C=C/C 10
1o9e_ligand_2_1.mol2 1o9e 0.764706 -8.00 C[C@@H]1C2=C[C@@]3([C@@H]([C@@H](C[C@@H]3O)CC)C[C@@H]([C@@H]([C@@H]2CC1)C)O)C 21
1o9e_ligand_1_2.mol2 1o9e 0.764706 -7.76 C[C@@H]1C2=C[C@@]3([C@@H](CC[C@@H]3O)C[C@@H]([C@@H]([C@@H]2CC1)C)O)C 19
1o9e_ligand_1_0.mol2 1o9e 0.764706 -7.69 [C@@H]12[C@@H](C[C@@H]([C@@]1(C=C1CCC[C@H]1[C@H]([C@H](C2)O)C)C)O)CC 20
1o9e_ligand_frag_0.mol2 1o9e 0.764706 -7.45 [C@@H]12CC[C@@H]([C@@]1(C=C1CCC[C@H]1[C@H]([C@H](C2)O)C)C)O 18
102 , 11