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Common name


fenamidone

Formula


C17H17N3OS

CAS


161326-34-7

IUPAC name


(5S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one

SMILES


C[C@]1(c2ccccc2)C(=O)N(C(=N1)SC)Nc1ccccc1

INCHI


InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1

Physicochemical Properties

Molecular weight:

311.109

Molar refractivity:

98.486

Num. bonds:

24

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

3

Num. oxygen atoms:

1

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

114.05

Lipophilicity

ALogP:

2.51

MLogP:

2.78

XLogP:

2.998

Water Solubility

CLogS:

-4.398

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

36.075

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 4

4

Frac. of Rot. bonds:

0.167

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

70
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.511

QEF:

0.576

Gau:

5.67926