Compounds

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
73.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4871056

Name:
N-[[2-[(6'-fluoro-2'-oxo-spiro[cyclopropane-1,3'-indoline]-1'-yl)methyl]-1-Show More⌵

Mol. Formula:
C25H24F4N4O2

M.W.:
488.49

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
67.23

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4866951

Name:
1-[[2-[(6'-fluoro-2'-oxo-spiro[cyclopropane-1,3'-indoline]-1'-yl)methyl]-1-Show More⌵

Mol. Formula:
C24H24F4N6O

M.W.:
488.49

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
100.03

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4858949

Name:
1-acetyl-1'-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl]methyl]spiro[azShow More⌵

Mol. Formula:
C26H31N5O2

M.W.:
445.57

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
84.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4858040

Name:
1'-[[5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl]methyl]spiro[cyclopropanShow More⌵

Mol. Formula:
C23H27N5O

M.W.:
389.50

Type:
Unknown

AlogP:
3.51

Polar Surface Area:
77.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4855358

Name:
2-[(6'-fluoro-2'-oxo-spiro[cyclopropane-1,3'-indoline]-1'-yl)methyl]-1-(4,4Show More⌵

Mol. Formula:
C23H21F4N5O

M.W.:
459.45

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
88.00

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4853602

Name:
1'-[[5-(aminomethyl)-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-6'-fluoro-Show More⌵

Mol. Formula:
C23H25FN4O2

M.W.:
408.48

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
84.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4847062

Name:
2-[(6'-fluoro-2'-oxo-spiro[cyclopropane-1,3'-indoline]-1'-yl)methyl]-1-(4,4Show More⌵

Mol. Formula:
C23H20F4N4O2

M.W.:
460.43

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
81.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4782630

Name:
NA

Mol. Formula:
C27H31F4N7O2

M.W.:
561.58

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
78.24

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4779491

Name:
NA

Mol. Formula:
C27H33FN8O3

M.W.:
536.61

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
121.33

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4765002

Name:
(18aS)-134(1r,3S)-3-Hydroxycyclobutyl]-2,11-dimethyl-8,9,10,11,19,20,21,22-Show More⌵

Mol. Formula:
C28H34N6O4

M.W.:
518.62

4 activity values

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
112.30

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4761881

Name:
NA

Mol. Formula:
C26H31FN6O4S

M.W.:
542.64

Type:
Unknown

AlogP:
2.69

Polar Surface Area:
100.35

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4758615

Name:
NA

Mol. Formula:
C27H33FN8O3

M.W.:
536.61

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
107.34

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4757367

Name:
NA

Mol. Formula:
C26H30FN7O3

M.W.:
507.57

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
104.10

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4756466

Name:
NA

Mol. Formula:
C26H31FN6O3

M.W.:
494.57

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
75.44

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4755451

Name:
NA

Mol. Formula:
C27H33N7O3

M.W.:
503.61

4 activity values

Type:
Unknown

AlogP:
2.56

Polar Surface Area:
95.31

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4753413

Name:
NA

Mol. Formula:
C26H32FN7O2

M.W.:
493.59

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
78.24

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4752524

Name:
(18aS)-2-F1uoro-13-1-(1s,3R)-3-hydroxycyclobuty11-11-methy1-8,9,10,11,19,20Show More⌵

Mol. Formula:
C27H31FN6O4

M.W.:
522.58

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
112.30

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4752460

Name:
NA

Mol. Formula:
C27H32FN7O3

M.W.:
521.60