Compounds

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
28.68

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4876923

Name:
4-chloro-N,2,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidi
Show More⌵

Mol. Formula:
C10H11ClN4O

M.W.:
238.68

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
70.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4870933

Name:
4,5-dichloro-2-methyl-6-[prop-1-enyl]-7H-pyrrolo[2
Show More⌵

Mol. Formula:
C10H9Cl2N3

M.W.:
242.11

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4870610

Name:
4-chloro-2,5-dimethyl-6-propyl-7H-pyrrolo[2,3-d]py
Show More⌵

Mol. Formula:
C11H14ClN3

M.W.:
223.71

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4870403

Name:
5-bromo-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimid
Show More⌵

Mol. Formula:
C10H12BrN3

M.W.:
254.13

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.89

DETAILS

ALA4867063

Name:
Chloro-2-methyl-6-propy1-7H-pyrrolo[2,3-d]pyrimidi
Show More⌵

Mol. Formula:
C10H12ClN3

M.W.:
209.68

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA4857154

Name:
7-Ethyl-3,3-dimethylindolin-2-one

Mol. Formula:
C12H15NO

M.W.:
189.26

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA4860270

Name:
5-bromo-4-chloro-N,2-dimethyl-7H-pyrrolo[2,3-d]pyr
Show More⌵

Mol. Formula:
C9H8BrClN4O

M.W.:
303.55

4 activity values

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
70.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4848983

Name:
3,3-Dimethyl-7-(methylamino)indolin-2-one

Mol. Formula:
C11H14N2O

M.W.:
190.25

8 activity values

8 unique targets

Type:
Unknown

AlogP:
1.96

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA4848708

Name:
2,5-dimethyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine

Mol. Formula:
C11H15N3

M.W.:
189.26

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA4847931

Name:
2-Methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine-5-ca
Show More⌵

Mol. Formula:
C11H12N4

M.W.:
200.24

4 activity values

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
65.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4862550

Name:
8-Cyclopropy1-2-methyl-9H-pyrido[2,3-b]indole

Mol. Formula:
C15H14N2

M.W.:
222.29

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
28.68

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3686492

Name:
US8871934, 707

Mol. Formula:
C22H21F3N2O4

M.W.:
434.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
98.74

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3686491

Name:
US8871934, 706

Mol. Formula:
C21H19F3N2O4

M.W.:
420.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
98.74

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4847005

Name:
7-Amino-3,3-dimethylindolin-2-one

Mol. Formula:
C10H12N2O

M.W.:
176.22

4 activity values

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA5094437

Name:
((2S,4R)-4-benzyl-1-(8-cyclopropyl-2-methyl-9H-pyr
Show More⌵

Mol. Formula:
C26H28N4O

M.W.:
412.54

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
65.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5094187

Name:
(S)-(1-(8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]i
Show More⌵

Mol. Formula:
C19H22N4O

M.W.:
322.41

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
65.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5093860

Name:
8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole

Mol. Formula:
C15H14N2

M.W.:
222.29

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
28.68

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5092915

Name:
((2S,4S)-4-benzyl-1-(8-cyclopropyl-2-methyl-9H-pyr
Show More⌵

Mol. Formula:
C27H30N4O2

M.W.:
442.56

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
85.27

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5092161

Name:
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-
Show More⌵

Mol. Formula:
C19H18N4S

M.W.:
334.45