Compounds

Type:
Small molecule

AlogP:
6.81

Polar Surface Area:
62.10

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1096267

Name:
17-{4-[(E)-2-phenyldiazen-1-yl]phenyl}-17-azapenta
Show More⌵

Mol. Formula:
C30H21N3O2

M.W.:
455.52

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
62.10

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1096266

Name:
2-[benzothiazol-2-yl]-3a,4,9,9a-tetrahydro-4,9-ben
Show More⌵

Mol. Formula:
C26H18N2O2S

M.W.:
422.51

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
50.27

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1094941

Name:
2-[1,3-dioxo-1,3,3a,4,9,9a-hexahydro-4,9-benzeno-b
Show More⌵

Mol. Formula:
C28H23NO4S

M.W.:
469.56

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
63.68

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1097905

Name:
2-(1H-[1,2,4]triazol-3-yl)-3a,4,9,9a-tetrahydro-4,
Show More⌵

Mol. Formula:
C20H14N4O2

M.W.:
342.36

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
78.95

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA1096902

Name:
toluene-4-sulphonic acid-2-[1,3-dioxo-1,3,3a,4,9,9
Show More⌵

Mol. Formula:
C31H23NO5S

M.W.:
521.59

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
80.75

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1094925

Name:
2-[2-hydroxy-phenyl]-3a,4,9,9a-tetrahydro-4,9-benz
Show More⌵

Mol. Formula:
C24H17NO3

M.W.:
367.40

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1094924

Name:
2-[2-(mercapto-phenyl)]-3a,4,9,9a-tetrahydro-4,9-b
Show More⌵

Mol. Formula:
C24H17NO2S

M.W.:
383.47

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
37.38

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1097574

Name:
2,2'-bis[1,3-dioxo-1,3,3a-,4,9,9a-hexahydro-4,9-be
Show More⌵

Mol. Formula:
C48H32N2O4S2

M.W.:
764.93

Type:
Small molecule

AlogP:
9.28

Polar Surface Area:
74.76

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA1097573

Name:
2-[2-{4-(2-[1,3-dioxo-1,3,3a,4,9,9a-hexahydro-4,9-
Show More⌵

Mol. Formula:
C58H38N4O5

M.W.:
870.97

Type:
Small molecule

AlogP:
9.90

Polar Surface Area:
116.22

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1098903

Name:
N-[2-(1,3-dioxo-1,3,3a,4,9,9a-hexahydro-4,9-benzen
Show More⌵

Mol. Formula:
C26H20N2O3

M.W.:
408.46

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1098902

Name:
2-[2-amino-phenyl]-3a,4,9,9a-tetrahydro-4,9-benzen
Show More⌵

Mol. Formula:
C24H18N2O2

M.W.:
366.42

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
63.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1098579

Name:
12-[1-acetyl-1H-benzimidazol-2-yl]-9,10-dihydro-9,
Show More⌵

Mol. Formula:
C26H20N2O4

M.W.:
424.46

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
81.42

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1098578

Name:
2-[4-(1H-benzoimidazole-2-carbonyl)-phenyl]-3a,4,9
Show More⌵

Mol. Formula:
C32H21N3O3

M.W.:
495.54

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
83.13

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1097588

Name:
2-[4-(2,2-dibromo-acetyl)-phenyl]-3a,4,9,9atetrahy
Show More⌵

Mol. Formula:
C26H17Br2NO3

M.W.:
551.23

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
54.45

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1097223

Name:
2-[4-acetyl-phenyl]-3a,4,9,9a-tetrahydro-4,9-benze
Show More⌵

Cas Number:
293324-34-2

Mol. Formula:
C26H19NO3

M.W.:
393.44

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
54.45

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA1095949

Name:
2-{2-cyano-2-[5-oxo-3-phenyl-4-(p-tolylhydrazono)-
Show More⌵

Mol. Formula:
C28H24N6O3S2

M.W.:
556.67

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
140.68

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1098951

Name:
2-[2-cyano-2-(5-oxo-3-phenyl-thiazolidin-2-ylidene
Show More⌵

Mol. Formula:
C21H18N4O3S2

M.W.:
438.53

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
116.29

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1096566

Name:
5-amino-1H-pyrazole-4-carboxylic acid(3-carbamoyl-
Show More⌵

Mol. Formula:
C13H15N5O2S

M.W.:
305.36

Type:
Small molecule

AlogP:
1.28

Polar Surface Area:
126.89

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1096922

Name:
5-(2,5-dimethyl-pyrrol-1-yl)-3-phenylamino-1H-pyra
Show More⌵

Mol. Formula:
C25H26N6O2S

M.W.:
474.59