Compounds

ALA284663

Name:
Nafcillin sodium salt; 6-[(2-ethoxy-decahydro-naphthalene-1-carbonyl)-aminoShow More⌵

Mol. Formula:
C21H31N2NaO5S

M.W.:
446.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
95.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA281317

Name:
(Cloxacillin sulfoxide)6-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyShow More⌵

Mol. Formula:
C19H18ClN3O6S

M.W.:
451.89

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
135.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA281444

Name:
(Oxacillin methyl ester)3,3-Dimethyl-6-[(5-methyl-3-phenyl-isoxazole-4-carbShow More⌵

Mol. Formula:
C20H21N3O5S

M.W.:
415.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
101.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA276972

Name:
(Oxacillin sulfoxide)3,3-Dimethyl-6-[(5-methyl-3-phenyl-isoxazole-4-carbonyShow More⌵

Mol. Formula:
C19H19N3O6S

M.W.:
417.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.91

Polar Surface Area:
135.80

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA24174

Name:
(Cloxacillin methyl ester)6-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbShow More⌵

Mol. Formula:
C20H20ClN3O5S

M.W.:
449.92

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
101.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

Cloxacillin sodium salt

Name:
Cloxacillin sodium salt; 6-{[3-(2-chloro-phenyl)-5-methyl-isoxazole-4-carboShow More⌵

Mol. Formula:
C19H17ClN3NaO5S

M.W.:
457.87

24 activity values

11 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
112.74

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

Dicloxacillin sodium

Name:
Dicloxacillin sodium salt; 6-{[3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4Show More⌵

Mol. Formula:
C19H16Cl2N3NaO5S

M.W.:
492.32

12 activity values

12 unique targets

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
112.74

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

Flucloxacillin sodium

Name:
Flucloxacillin sodium salt; 6-{[3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxaShow More⌵

Mol. Formula:
C19H16ClFN3NaO5S

M.W.:
475.86

60 activity values

58 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
112.74

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA26227

Name:
(Dicloxacillin methyl ester)6-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-Show More⌵

Mol. Formula:
C20H19Cl2N3O5S

M.W.:
484.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
101.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA440783

Name:
(Methicillin methyl ester)6-(2,6-Dimethoxy-benzoylamino)-3,3-dimethyl-7-oxoShow More⌵

Mol. Formula:
C18H22N2O6S

M.W.:
394.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.04

Polar Surface Area:
94.17

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS