Compounds

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
59.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3357048

Name:
(R)-2-Amino-1-[4-(8-chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-1Show More⌵

Mol. Formula:
C24H28ClN3O

M.W.:
409.96

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
59.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3357047

Name:
3-Amino-1-[4-(8-Chloro-5,6-dihydro-11Hbenzo[5,6]cyclohepta[1,2-b]pyridin-11Show More⌵

Mol. Formula:
C22H24ClN3O

M.W.:
381.91

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
59.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3357046

Name:
1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidenShow More⌵

Mol. Formula:
C22H23ClN2O2

M.W.:
382.89

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3357045

Name:
1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidenShow More⌵

Mol. Formula:
C27H31ClN2O

M.W.:
435.01

Type:
Small molecule

AlogP:
6.23

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3357044

Name:
1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidenShow More⌵

Mol. Formula:
C25H29ClN2O

M.W.:
408.97

Type:
Small molecule

AlogP:
5.84

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3357043

Name:
1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidenShow More⌵

Mol. Formula:
C24H27ClN2O

M.W.:
394.95

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3357042

Name:
1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidenShow More⌵

Mol. Formula:
C24H27ClN2O

M.W.:
394.95

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3357041

Name:
1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-pShow More⌵

Mol. Formula:
C23H23ClN2O

M.W.:
378.90

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3357040

Name:
1-[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidenShow More⌵

Mol. Formula:
C23H25ClN2O

M.W.:
380.92

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3357039

Name:
Benzyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylShow More⌵

Mol. Formula:
C27H25ClN2O2

M.W.:
444.96

Type:
Small molecule

AlogP:
6.07

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3357038

Name:
Phenyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylShow More⌵

Mol. Formula:
C26H23ClN2O2

M.W.:
430.94

Type:
Small molecule

AlogP:
5.93

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3357037

Name:
Allyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yliShow More⌵

Mol. Formula:
C23H23ClN2O2

M.W.:
394.90

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3357036

Name:
tert-Butyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-1Show More⌵

Mol. Formula:
C24H27ClN2O2

M.W.:
410.95

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3357034

Name:
Isopropyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11Show More⌵

Mol. Formula:
C23H25ClN2O2

M.W.:
396.92

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3357033

Name:
Propyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylShow More⌵

Mol. Formula:
C23H25ClN2O2

M.W.:
396.92

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3357032

Name:
Methyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylShow More⌵

Mol. Formula:
C21H21ClN2O2

M.W.:
368.86

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3357031

Name:
8-Chloro-11-(1-(propylsulfonyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5Show More⌵

Mol. Formula:
C22H25ClN2O2S

M.W.:
416.97

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
50.27

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3357030

Name:
4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-Show More⌵

Mol. Formula:
C22H24ClN3O

M.W.:
381.91

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
45.23

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3357029

Name:
S-Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yShow More⌵

Mol. Formula:
C22H23ClN2OS

M.W.:
398.96