Compounds

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1831017

Name:
1-[N-(3-dimethylamino)-propyl]-methylamino-9-(3-phenylpropyl)-beta-carbolinShow More⌵

Mol. Formula:
C26H33ClN4

M.W.:
437.03

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1831016

Name:
1-[N-(2-diethylamino)-ethyl]-methylamino-9-(3-phenylpropyl)-beta-carboline Show More⌵

Mol. Formula:
C27H35ClN4

M.W.:
451.06

Type:
Small molecule

AlogP:
5.25

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA1831015

Name:
1-[N-(4-diethylamino)-butyl]-methylamino-9-(3-chlorobenzyl)-beta-carboline Show More⌵

Mol. Formula:
C27H34Cl2N4

M.W.:
485.50

Type:
Small molecule

AlogP:
6.10

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1831014

Name:
1-[N-(3-diethylamino)-propyl]-methylamino-9-(3-chlorobenzyl)-beta-carbolineShow More⌵

Mol. Formula:
C26H32Cl2N4

M.W.:
471.48

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1831013

Name:
1-[N-(3-dimethylamino)-propyl]-methylamino-9-(3-chlorobenzyl)-beta-carbolinShow More⌵

Mol. Formula:
C24H28Cl2N4

M.W.:
443.42

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1831012

Name:
1-[N-(2-diethylamino)-ethyl]-methylamino-9-(3-chlorobenzyl)-beta-carboline Show More⌵

Mol. Formula:
C25H30Cl2N4

M.W.:
457.45

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1831011

Name:
1-[N-(4-diethylamino)-butyl]-methylamino-9-(4-fluorobenzyl)-beta-carboline Show More⌵

Mol. Formula:
C27H34ClFN4

M.W.:
469.05

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1831010

Name:
1-[N-(3-diethylamino)-propyl]-methylamino-9-(4-fluorobenzyl)-beta-carbolineShow More⌵

Mol. Formula:
C26H32ClFN4

M.W.:
455.02

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1831009

Name:
1-[N-(3-dimethylamino)-propyl]-methylamino-9-(4-fluorobenzyl)-beta-carbolinShow More⌵

Mol. Formula:
C24H28ClFN4

M.W.:
426.97

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1831008

Name:
1-[N-(2-diethylamino)-ethyl]-methylamino-9-(4-fluorobenzyl)-beta-carboline Show More⌵

Mol. Formula:
C25H30ClFN4

M.W.:
440.99

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1831007

Name:
1-[N-(4-diethylamino)-butyl]-methylamino-9-benzyl-beta-carboline tetrahydroShow More⌵

Mol. Formula:
C27H35ClN4

M.W.:
451.06

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1831006

Name:
1-[N-(3-diethylamino)-propyl]-methylamino-9-benzyl-beta-carboline tetrahydrShow More⌵

Mol. Formula:
C26H33ClN4

M.W.:
437.03

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1831005

Name:
1-[N-(3-dimethylamino)-propyl]-methylamino-9-benzyl-beta-carboline tetrahydShow More⌵

Mol. Formula:
C24H29ClN4

M.W.:
408.98

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1831004

Name:
1-[N-(2-diethylamino)-ethyl]-methylamino-9-benzyl-beta-carboline tetrahydroShow More⌵

Mol. Formula:
C25H31ClN4

M.W.:
423.00

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1831003

Name:
1-[N-(4-diethylamino)-butyl]-methylamino-9-isobutyl-beta-carboline tetrahydShow More⌵

Mol. Formula:
C24H37ClN4

M.W.:
417.04

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1831002

Name:
1-[N-(3-diethylamino)-propyl]-methylamino-9-isobutyl-beta-carboline tetrahyShow More⌵

Mol. Formula:
C23H35ClN4

M.W.:
403.01

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1831001

Name:
1-[N-(3-dimethylamino)-propyl]-methylamino-9-isobutyl-beta-carboline tetrahShow More⌵

Mol. Formula:
C21H31ClN4

M.W.:
374.96

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
33.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1831000

Name:
1-[N-(2-diethylamino)-ethyl]-methylamino-9-isobutyl-beta-carboline tetrahydShow More⌵

Mol. Formula:
C22H33ClN4

M.W.:
388.99