Compounds

ALA5271731

Name:
1-fluoro-3-(3-(4-(2-thiocyanatoethoxy)phenoxy)phenoxy)benzene

Mol. Formula:
C21H16FNO3S

M.W.:
381.43

Type:
---

AlogP:
6.00

Polar Surface Area:
51.48

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5271586

Name:
N-(4-fluorophenyl)-2-(thiophene-2-carbonyl)hydrazine-1-carbothioamide

Mol. Formula:
C12H10FN3OS2

M.W.:
295.36

Type:
---

AlogP:
2.52

Polar Surface Area:
53.16

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA5271323

Name:
1-(2-thiocyanatoethoxy)-4-(4-(trifluoromethyl)phenoxy)benzene

Mol. Formula:
C16H12F3NO2S

M.W.:
339.34

Type:
---

AlogP:
5.09

Polar Surface Area:
42.25

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5270798

Name:
(1S,2R,4aS,6aS,6bR,8aS,12aR,12bR,14bS,Z)-11-((1-(2-chlorophenyl)-1H-1,2,3-tShow More⌵

Mol. Formula:
C39H50ClN3O3

M.W.:
644.30

Type:
---

AlogP:
9.23

Polar Surface Area:
85.08

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5269355

Name:
(1S,2R,4aS,6aS,6bR,8aS,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-hepShow More⌵

Mol. Formula:
C30H48O3

M.W.:
456.71

Type:
---

AlogP:
7.09

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5282665

Name:
2-(3-(4-fluorophenyl)-4H-1,2,4-triazol-4-yl)ethyl (1S,2R,4aS,6aS,6bR,8aS,10Show More⌵

Mol. Formula:
C40H56FN3O3

M.W.:
645.90

Type:
---

AlogP:
8.65

Polar Surface Area:
77.24

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5282459

Name:
1-(2-thiocyanatoethoxy)naphthalene

Mol. Formula:
C13H11NOS

M.W.:
229.30

Type:
---

AlogP:
3.43

Polar Surface Area:
33.02

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5282405

Name:
Nullscript

Mol. Formula:
C16H14N2O4

M.W.:
298.30

Type:
---

AlogP:
1.72

Polar Surface Area:
86.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5282195

Name:
O-((R)-8-((3S,6S,9S,13S,14aR)-9-benzyl-6-ethyl-6,13-dimethyl-1,4,7,10-tetraShow More⌵

Mol. Formula:
C37H48N4O7S

M.W.:
692.88

Type:
---

AlogP:
4.02

Polar Surface Area:
143.14

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5280908

Name:
(1S,2R,4aS,6aS,6bR,8aS,12aR,12bR,14bS,Z)-1,2,6a,6b,9,9,12a-heptamethyl-10-oShow More⌵

Mol. Formula:
C42H57N3O6

M.W.:
699.93

Type:
---

AlogP:
8.60

Polar Surface Area:
112.77

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5280840

Name:
2-(4-(2-thiocyanatoethoxy)phenoxy)naphthalene

Mol. Formula:
C19H15NO2S

M.W.:
321.40

Type:
---

AlogP:
5.23

Polar Surface Area:
42.25

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5280753

Name:
(1S,2R,4aS,6aS,6bR,8aS,12aR,12bR,14bS,Z)-11-((1-(2-iodophenyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C39H50IN3O3

M.W.:
735.75

Type:
---

AlogP:
9.18

Polar Surface Area:
85.08

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5279344

Name:
1-(4-(2-thiocyanatoethoxy)phenoxy)naphthalene

Mol. Formula:
C19H15NO2S

M.W.:
321.40

Type:
---

AlogP:
5.23

Polar Surface Area:
42.25

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5279112

Name:
2-(3-(4-nitrophenyl)-4H-1,2,4-triazol-4-yl)ethyl (1S,2R,4aS,6aS,6bR,8aS,10SShow More⌵

Mol. Formula:
C40H56N4O5

M.W.:
672.91

Type:
---

AlogP:
8.42

Polar Surface Area:
120.38

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5276868

Name:
1-chloro-2-(3-(4-(2-thiocyanatoethoxy)phenoxy)phenoxy)benzene

Mol. Formula:
C21H16ClNO3S

M.W.:
397.88

Type:
---

AlogP:
6.52

Polar Surface Area:
51.48

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5276318

Name:
4-(4-(2-thiocyanatoethoxy)phenoxy)pyridine

Mol. Formula:
C14H12N2O2S

M.W.:
272.33

Type:
---

AlogP:
3.47

Polar Surface Area:
55.14

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5275477

Name:
1-(4-Methylimidazol-5-oyl)-4-(4-nitrophenyl)thiosemicarbazide

Mol. Formula:
C12H12N6O3S

M.W.:
320.33

Type:
---

AlogP:
1.26

Polar Surface Area:
124.98

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5275341

Name:
N-(2-bromophenyl)-2-(4-methyl-1,2,3-thiadiazole-5-carbonyl)hydrazine-1-carbShow More⌵

Mol. Formula:
C11H10BrN5OS2

M.W.:
372.27

Type:
---

AlogP:
2.24

Polar Surface Area:
78.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5274981

Name:
(1S,2R,4aS,6aS,6bR,8aS,12aR,12bR,14bS,Z)-11-((1-(2-bromophenyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C39H50BrN3O3

M.W.:
688.75

Type:
---

AlogP:
9.33

Polar Surface Area:
85.08

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5273446

Name:
1-(4-(2-thiocyanatoethoxy)phenoxy)-3-(trifluoromethyl)benzene

Mol. Formula:
C16H12F3NO2S

M.W.:
339.34

Type:
---

AlogP:
5.09

Polar Surface Area:
42.25

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS