Compounds

ALA5272547

Name:
7-amino-5-(2-methoxyphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyShow More⌵

Mol. Formula:
C15H12N4O4

M.W.:
312.29

Type:
---

AlogP:
0.29

Polar Surface Area:
133.99

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5272120

Name:
(P)-Bisoflavolin A

Mol. Formula:
C30H18O9

M.W.:
522.47

Type:
---

AlogP:
5.43

Polar Surface Area:
161.57

HBA:
9

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5271964

Name:
7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyShow More⌵

Mol. Formula:
C14H10N4O4

M.W.:
298.26

Type:
---

AlogP:
-0.01

Polar Surface Area:
144.99

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5269348

Name:
(M)-Bisoflavolin D

Mol. Formula:
C30H18O10

M.W.:
538.46

Type:
---

AlogP:
5.13

Polar Surface Area:
181.80

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5268041

Name:
(M)-Bisoflavolin C

Mol. Formula:
C30H18O8

M.W.:
506.47

Type:
---

AlogP:
5.72

Polar Surface Area:
141.34

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5281916

Name:
methyl 7-amino-5-(4-chlorophenyl)-4-oxo-2-thioxo-2,3,4,5-tetrahydro-1H-pyraShow More⌵

Mol. Formula:
C15H12ClN3O4S

M.W.:
365.80

Type:
---

AlogP:
1.95

Polar Surface Area:
110.20

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5281677

Name:
8-amino-7-(4-bromophenyl)-8,9-dihydro-6H,7H-chromeno[3',4':5,6]pyrano[2,3-dShow More⌵

Mol. Formula:
C20H14BrN3O3

M.W.:
424.25

Type:
---

AlogP:
3.21

Polar Surface Area:
89.85

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5280676

Name:
7-amino-5-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyShow More⌵

Mol. Formula:
C14H10N4O4

M.W.:
298.26

Type:
---

AlogP:
-0.01

Polar Surface Area:
144.99

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5278869

Name:
7-amino-5-(4-bromophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyriShow More⌵

Mol. Formula:
C14H9BrN4O3

M.W.:
361.15

Type:
---

AlogP:
1.04

Polar Surface Area:
124.76

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5278310

Name:
(M)-Bisoflavolin F

Mol. Formula:
C31H20O9

M.W.:
536.49

Type:
---

AlogP:
5.73

Polar Surface Area:
150.57

HBA:
9

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5276609

Name:
4-((4-(5-(2,4-dichlorophenyl)isoxazol-3-yl)phenyl)amino)-2H-chromen-2-one

Mol. Formula:
C24H14Cl2N2O3

M.W.:
449.29

Type:
---

AlogP:
7.17

Polar Surface Area:
68.27

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5275748

Name:
2'-amino-1-(10-bromodecyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]Show More⌵

Mol. Formula:
C31H37N5O4

M.W.:
543.67

Type:
---

AlogP:
4.71

Polar Surface Area:
106.95

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5275324

Name:
7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-Show More⌵

Mol. Formula:
C16H14N4O5

M.W.:
342.31

Type:
---

AlogP:
0.30

Polar Surface Area:
143.22

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5274771

Name:
7-amino-5-(2-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyriShow More⌵

Mol. Formula:
C14H9N5O5

M.W.:
327.26

Type:
---

AlogP:
0.19

Polar Surface Area:
167.90

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5274531

Name:
(P)-Bisoflavolin B

Mol. Formula:
C30H18O9

M.W.:
522.47

Type:
---

AlogP:
5.43

Polar Surface Area:
161.57

HBA:
9

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5274331

Name:
(M)-Bisoflavolin E

Mol. Formula:
C31H20O9

M.W.:
536.49

Type:
---

AlogP:
5.73

Polar Surface Area:
150.57

HBA:
9

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5285575

Name:
Bisoflavolin L

Mol. Formula:
C30H17ClO9

M.W.:
556.91

Type:
---

AlogP:
6.50

Polar Surface Area:
150.57

HBA:
9

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5284181

Name:
1,5-dihydroxy-6,7-dimethoxyxanthone

Mol. Formula:
C15H12O6

M.W.:
288.25

Type:
---

AlogP:
2.37

Polar Surface Area:
89.13

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5284131

Name:
Bisoflavolin K

Mol. Formula:
C30H17ClO8

M.W.:
540.91

Type:
---

AlogP:
6.80

Polar Surface Area:
130.34

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5290998

Name:
7-amino-5-(3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyriShow More⌵

Mol. Formula:
C14H9N5O5

M.W.:
327.26

Type:
---

AlogP:
0.19

Polar Surface Area:
167.90

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS