Responsive image

Common name

(1R)-1-cyclopropylethane-1,2-diol

IUPAC name

(1R)-1-cyclopropylethane-1,2-diol

SMILES

OCC(O)C1CC1

Common name

(1R)-1-cyclopropylethane-1,2-diol

IUPAC name

(1R)-1-cyclopropylethane-1,2-diol

SMILES

OCC(O)C1CC1

INCHI

InChI=1S/C5H10O2/c6-3-5(7)4-1-2-4/h4-7H,1-3H2/t5-/m0/s1

FORMULA

C5H10O2

Responsive image

Common name

(1R)-1-cyclopropylethane-1,2-diol

IUPAC name

(1R)-1-cyclopropylethane-1,2-diol





Molecular weight

102.132

clogP

0.421

clogS

0.293

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
FDBD00100 Remikiren Responsive image Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; For the treatment of hypertension and heart failure.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3d91_ligand_2_117.mol2 3d91 1 -5.94 C1(CC1)[C@H](O)CO 7
3d91_ligand_3_553.mol2 3d91 0.916667 -6.31 C1(CC1)[C@H](O)[C@H](O)C 8
1epq_ligand_3_445.mol2 1epq 0.909091 -6.12 C(C)(C)C[C@H](O)CO 8
1bil_ligand_3_552.mol2 1bil 0.909091 -6.09 [C@H](O)(CC(C)C)CO 8
1hrn_ligand_3_452.mol2 1hrn 0.909091 -6.08 [C@@H](O)(CO)CC(C)C 8
1fq6_ligand_3_454.mol2 1fq6 0.909091 -6.07 C(C)(C)C[C@H](O)CO 8
1h37_ligand_3_88.mol2 1h37 0.909091 -6.03 C[C@@H]1[C@H](C1)CO 6
1f74_ligand_4_36.mol2 1f74 0.909091 -5.93 [C@H](O)(CO)CCC 7
4b5d_ligand_2_0.mol2 4b5d 0.909091 -5.88 C(CO)C1CC1 6
3e8n_ligand_2_25.mol2 3e8n 0.909091 -5.63 C(O)CC1CC1 6
182 , 19