Responsive image

Common name


cycloheximide

Formula


C15H23NO4

CAS


66-81-9

IUPAC name


4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione

SMILES


C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=NC(=O)C1)O)O

INCHI


InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1

Physicochemical Properties

Molecular weight:

281.163

Molar refractivity:

67.788

Num. bonds:

21

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

2

Complexity of system:

61.05

Lipophilicity

ALogP:

-1.005

MLogP:

2.56

XLogP:

0.664

Water Solubility

CLogS:

-1.899

Geometric

PPSA-1:

396.387

PNSA-1:

214.732

RPCS:

0.701

RNCS:

3.884

THSA:

442.771

TPSA:

168.347

RHSA:

0.725

RPSA:

0.275

Electrostatic

RPCG:

0.125

RNCG:

0.215

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.143

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

71.44
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.522

QEF:

0.362

Gau:

1.30059