Compounds

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
27.03

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4535733

Name:
8-(N-Piperidinyl)naphtho[2,1-b]thiophene-4-carboni
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Mol. Formula:
C18H16N2S

M.W.:
292.41

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
27.03

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4533670

Name:
N-Isobutylphenanthrene-9-carboxamide

Mol. Formula:
C19H19NO

M.W.:
277.37

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4552806

Name:
3-(N-Piperazinyl)phenanthrene-9-carbonitrile

Mol. Formula:
C19H17N3

M.W.:
287.37

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
39.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4529334

Name:
Naphtho[2,1-b]thiophene-4-carbonitrile

Mol. Formula:
C13H7NS

M.W.:
209.27

Type:
Unknown

AlogP:
3.93

Polar Surface Area:
23.79

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4527884

Name:
N-(3-(N',N'-Dimethylamino)propyl)naphtho[2,1-b]thi
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Cas Number:
104329-54-6

Mol. Formula:
C18H20N2OS

M.W.:
312.44

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4516522

Name:
2,3-O,O-dibenzyl-6-deoxy-6-[4-tolyl-1,2,3-triazol-
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Mol. Formula:
C29H27N3O5

M.W.:
497.55

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
95.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4516190

Name:
2,3-O,O-dibenzyl-6-deoxy-6-[4-(3-hydroxyphenyl)-1,
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Mol. Formula:
C28H25N3O6

M.W.:
499.52

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
115.93

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4515129

Name:
N4,N8-Bis(3-(N',N'-dimethylamino)propyl)naphtho[2,
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Mol. Formula:
C24H32N4O2S

M.W.:
440.61

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
64.68

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4572352

Name:
2,3-O,O-dibenzyl-6-[(4-(4-chlorobenzenesulfonamide
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Mol. Formula:
C29H27ClN4O7S

M.W.:
611.08

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
141.87

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4577522

Name:
2,3-O,O-dibenzyl-6-deoxy-6-[4-(2-hydroxyethyl)-1,2
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Mol. Formula:
C24H25N3O6

M.W.:
451.48

Type:
Unknown

AlogP:
1.74

Polar Surface Area:
115.93

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4585692

Name:
Naphtho[2,1-b]thiophene-4,8-dicarbonitrile

Mol. Formula:
C14H6N2S

M.W.:
234.28

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
47.58

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4584107

Name:
2,3-O,O-dibenzyl-6-[(4-(2-chloro-4-fluorobenzenesu
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Mol. Formula:
C29H26ClFN4O7S

M.W.:
629.07

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
141.87

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4792549

Name:
2-((5-(2-(4-Chlorophenyl)-6-methoxyquinolin-4-yl)-
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Mol. Formula:
C34H27ClN6O3S

M.W.:
635.15

27 activity values

5 unique targets

Type:
Unknown

AlogP:
7.74

Polar Surface Area:
114.52

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4469466

Name:
3,4-bis(benzyloxy)-5-(2-(4-(3,5-bis(trifluoromethy
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Mol. Formula:
C30H21F6N3O4

M.W.:
601.50

Type:
Unknown

AlogP:
7.07

Polar Surface Area:
75.47

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4473986

Name:
2,3-O,O-dibenzyl-6-deoxy-6-[4-(3,5-bis(trifluorome
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Mol. Formula:
C30H23F6N3O5

M.W.:
619.52

Type:
Unknown

AlogP:
5.91

Polar Surface Area:
95.70

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4473024

Name:
2,3-O,O-dibenzyl-6-[4-(3-chloropropyl)-1,2,3-triaz
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Mol. Formula:
C25H26ClN3O5

M.W.:
483.95

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
95.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4545949

Name:
3,4-bis(benzyloxy)-5-(2-(4-(4-pentylphenyl)-1H-1,2
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Mol. Formula:
C33H33N3O4

M.W.:
535.64

Type:
Unknown

AlogP:
6.76

Polar Surface Area:
75.47

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4545133

Name:
3,4-bis(benzyloxy)-5-(2-(4-decyl-1H-1,2,3-triazol-
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Mol. Formula:
C32H39N3O4

M.W.:
529.68

Type:
Unknown

AlogP:
7.05

Polar Surface Area:
75.47

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4544092

Name:
2,3-O,O-dibenzyl-6-deoxy-6-[4-((tert-butyl-1-carbo
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Mol. Formula:
C33H39N5O7S2

M.W.:
681.84