Compounds

ALA4587872

Name:
6-(2-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)prop-1-enyl)-2H-furo[3,4-g]cShow More⌵

Mol. Formula:
C20H16O5

M.W.:
336.34

4 activity values

4 unique targets

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
69.65

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3216873

Name:
2N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-4-(4-formamiShow More⌵

Mol. Formula:
C22H29Cl2N9O4

M.W.:
554.44

77 activity values

38 unique targets

Type:
Small molecule

AlogP:
0.83

Polar Surface Area:
181.06

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA332748

Name:
2N-(3-amino-3-imminopropyl)-4-(4-dichloromethylcarboxamido-1-methyl-1H-2-pyShow More⌵

Mol. Formula:
C25H42Cl2N8O7S

M.W.:
669.63

21 activity values

17 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA115422

Name:
2N-[5-(3-amino-3-iminopropylcarbamoyl)-1-methyl-1H-3-pyrrolyl]-4-(4-formamiShow More⌵

Mol. Formula:
C18H28Cl2N10O3

M.W.:
503.40

30 activity values

18 unique targets

Type:
Small molecule

AlogP:
-0.91

Polar Surface Area:
208.93

HBA:
7

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA116032

Name:
2N-(3-amino-3-imminopropyl)-1-methyl-4-(1-methyl-4-trichloromethylcarboxamiShow More⌵

Mol. Formula:
C17H21Cl4N7O3

M.W.:
513.21

21 activity values

18 unique targets

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
147.03

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA326175

Name:
2N-(3-amino-3-imminopropyl)-4-(4-cyclopropylcarboxamido-1-methyl-1H-2-pyrroShow More⌵

Mol. Formula:
C19H26ClN7O3

M.W.:
435.92

19 activity values

17 unique targets

Type:
Small molecule

AlogP:
1.02

Polar Surface Area:
147.03

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA116694

Name:
2N-(3-amino-3-imminopropyl)-4-(4-fluoromethylcarboxamido-1-methyl-1H-2-pyrrShow More⌵

Mol. Formula:
C17H23ClFN7O3

M.W.:
427.87

20 activity values

18 unique targets

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
147.03

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA116666

Name:
2N-(3-amino-3-imminopropyl)-4-(4-chloromethylcarboxamido-1-methyl-1H-2-pyrrShow More⌵

Mol. Formula:
C17H23Cl2N7O3

M.W.:
444.32

21 activity values

18 unique targets

Type:
Small molecule

AlogP:
0.85

Polar Surface Area:
147.03

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA117594

Name:
2N-(3-amino-3-imminopropyl)-4-[4-(3-chloropropylcarboxamido)-1-methyl-1H-2-Show More⌵

Mol. Formula:
C19H27Cl2N7O3

M.W.:
472.38

12 activity values

10 unique targets

Type:
Small molecule

AlogP:
1.63

Polar Surface Area:
147.03

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS