Compounds

ALA5272549

Name:
3-(3,4-dihydroxyphenyl)-1-(1-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indoShow More⌵

Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
---

AlogP:
3.74

Polar Surface Area:
76.56

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5272304

Name:
6-(3-aminopropoxy)-5-(6-(3-aminopropoxy)-5-(6-(benzyloxy)-5-nitropicolinamiShow More⌵

Mol. Formula:
C31H32N8O9

M.W.:
660.64

Type:
---

AlogP:
3.02

Polar Surface Area:
257.04

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5271649

Name:
(2E)-2-[[4-(dimethylamino)phenyl]methylene]-5-iodo-indan-1-one

Mol. Formula:
C18H16INO

M.W.:
389.24

Type:
---

AlogP:
4.18

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5271359

Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2SShow More⌵

Mol. Formula:
C65H116N16O16

M.W.:
1377.74

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270600

Name:
2,2,2-trifluoro-1-[3-[4-(4-pyrrolidin-1-yl-1-piperidyl)-2,1,3-benzoxadiazolShow More⌵

Mol. Formula:
C23H25F3N4O2

M.W.:
446.47

Type:
---

AlogP:
4.55

Polar Surface Area:
65.63

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5269968

Name:
(S)-1-hydroxy-8-methoxy-2,3-dihydrocyclopenta[b]chromen-9(1H)-one

Mol. Formula:
C13H12O4

M.W.:
232.24

Type:
---

AlogP:
1.78

Polar Surface Area:
59.67

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5269444

Name:
1-[3-[4-(benzylamino)-2,1,3-benzoxadiazol-6-yl]phenyl]-2,2,2-trifluoro-ethaShow More⌵

Mol. Formula:
C21H16F3N3O2

M.W.:
399.37

Type:
---

AlogP:
5.10

Polar Surface Area:
71.18

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5268526

Name:
Sulochrin-4-O-beta-D-glucopyranoside

Mol. Formula:
C23H26O12

M.W.:
494.45

Type:
---

AlogP:
-0.39

Polar Surface Area:
192.44

HBA:
12

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5282290

Name:
2,2,2-trifluoro-1-[5-[4-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-2,1,3-benzShow More⌵

Mol. Formula:
C20H21F3N4O2S

M.W.:
438.48

Type:
---

AlogP:
4.08

Polar Surface Area:
65.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5282081

Name:
methyl 2-hydroxy-4-methyl-6-(3,11,13-trihydroxy-9-methyl-7,12-dioxo-7,12-diShow More⌵

Mol. Formula:
C31H20O10

M.W.:
552.49

Type:
---

AlogP:
4.82

Polar Surface Area:
171.57

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5281519

Name:
2,2,2-trifluoro-1-[3-[4-(3-methoxyazetidin-1-yl)-2,1,3-benzoxadiazol-6-yl]pShow More⌵

Mol. Formula:
C18H16F3N3O3

M.W.:
379.34

Type:
---

AlogP:
3.32

Polar Surface Area:
71.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5281113

Name:
1-[3-[3-(benzylamino)-4-nitro-phenyl]phenyl]ethanol

Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
---

AlogP:
4.93

Polar Surface Area:
75.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5281010

Name:
2-[4-(azepan-1-yl)phenyl]-6-methoxy-1,3-benzothiazole

Mol. Formula:
C20H22N2OS

M.W.:
338.48

Type:
---

AlogP:
5.35

Polar Surface Area:
25.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5279891

Name:
2,2,2-trifluoro-1-[3-(4-pyrrolidin-1-yl-2,1,3-benzoxadiazol-6-yl)phenyl]ethShow More⌵

Mol. Formula:
C18H16F3N3O2

M.W.:
363.34

Type:
---

AlogP:
4.09

Polar Surface Area:
62.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5279844

Name:
6-methoxy-2-[4-(piperidin-1-yl)phenyl]-1,3-benzothiazole

Mol. Formula:
C19H20N2OS

M.W.:
324.45

Type:
---

AlogP:
4.96

Polar Surface Area:
25.36

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5279650

Name:
(2S)-2-acetamido-6-amino-N-[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1SShow More⌵

Mol. Formula:
C44H84N12O9

M.W.:
925.23

Type:
---

AlogP:
-1.06

Polar Surface Area:
353.95

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
34

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5276533

Name:
Demethylhydroxysulochrin

Mol. Formula:
C16H14O8

M.W.:
334.28

Type:
---

AlogP:
1.23

Polar Surface Area:
144.52

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5274654

Name:
1,3,8-trihydroxy-2-(2-hydroxy-4-methyl-6-(2,4,5-trihydroxybenzoyl)benzoyl)-Show More⌵

Mol. Formula:
C30H20O11

M.W.:
556.48

Type:
---

AlogP:
3.48

Polar Surface Area:
209.89

HBA:
11

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5274298

Name:
Hydroxysulochrin-17-O-alpha-D-glucopyranoside

Mol. Formula:
C23H26O13

M.W.:
510.45

Type:
---

AlogP:
-0.85

Polar Surface Area:
212.67

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5273825

Name:
1-[6-[3-(2,2,2-trifluoro-1-hydroxy-ethyl)phenyl]-2,1,3-benzoxadiazol-4-yl]aShow More⌵

Mol. Formula:
C17H14F3N3O3

M.W.:
365.31

Type:
---

AlogP:
2.67

Polar Surface Area:
82.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS