Compounds

ALA5316226

Name:
(R)-N-(4-(2-methylmorpholino)pyridin-3-yl)-2-phenylimidazo[1,2-b]pyridazineShow More⌵

Mol. Formula:
C23H22N6O2

M.W.:
414.47

Type:
---

AlogP:
3.27

Polar Surface Area:
84.65

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5316225

Name:
N-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-4-(pyridin-4-yl)pyShow More⌵

Mol. Formula:
C37H50O16

M.W.:
750.79

Type:
---

AlogP:
1.27

Polar Surface Area:
243.52

HBA:
16

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5316224

Name:
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholinoethyl)quinazolin-4-amine

Mol. Formula:
C22H26N4O3

M.W.:
394.48

Type:
---

AlogP:
3.06

Polar Surface Area:
68.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5316223

Name:
5-(2-hydroxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

Mol. Formula:
C13H12N2O4

M.W.:
260.25

Type:
---

AlogP:
0.83

Polar Surface Area:
77.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5316222

Name:
N-(4-(tert-butyl)phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazoleShow More⌵

Mol. Formula:
C21H26N4O4S

M.W.:
430.53

Type:
---

AlogP:
3.69

Polar Surface Area:
95.34

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5316221

Name:
(3R,6'S,7'R)-5,6-dibromo-7'-(3-bromophenyl)-6'-((E)-3-(3-bromophenyl)acryloShow More⌵

Mol. Formula:
C28H20Br4N2O2S

M.W.:
768.16

Type:
---

AlogP:
7.96

Polar Surface Area:
49.41

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5316220

Name:
phenyl 6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9HShow More⌵

Mol. Formula:
C25H21ClN2O3

M.W.:
432.91

Type:
---

AlogP:
5.98

Polar Surface Area:
54.56

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5316216

Name:
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene dShow More⌵

Mol. Formula:
C13H14ClN3

M.W.:
247.73

Type:
---

AlogP:
1.80

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA5316209

Name:
SPARTEINE HYDROIODIDE

Mol. Formula:
C15H27IN2

M.W.:
362.30

Type:
---

AlogP:
2.35

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA5316208

Name:

Mol. Formula:
C20H29NO

M.W.:
299.46

Type:
---

AlogP:
4.27

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5316207

Name:
5-(6-chloro-1H-benzo[d]imidazol-2-yl)benzo[c][1,2,5]selenadiazole

Mol. Formula:
C13H7ClN4Se

M.W.:
333.64

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5316206

Name:
Dehydroglyasperin D

Mol. Formula:
C22H24O5

M.W.:
368.43

Type:
---

AlogP:
4.56

Polar Surface Area:
68.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5316205

Name:
Dehydroglyasperin C

Mol. Formula:
C21H22O5

M.W.:
354.40

Type:
---

AlogP:
4.25

Polar Surface Area:
79.15

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5316204

Name:
Alpha-zeorin

Mol. Formula:
C30H52O2

M.W.:
444.74

Type:
---

AlogP:
7.22

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5316203

Name:
Exendin-4; Exenatide

Mol. Formula:
C184H282N50O60S

M.W.:
4186.64

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5316202

Name:
benzyl N-[(4S)-4-[(2S)-2-{[(2S)-1-[(2S,3E,5S)-2-benzyl-5-{[(tert-butoxy)carShow More⌵

Mol. Formula:
C61H86N10O9

M.W.:
1103.42

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5316201

Name:
Rac-[4-[2-[[(3S,4S)-1-[4-[(3S,4S)-3,4-bis[2-(4-oxidoazonoylphenyl)ethylcarbShow More⌵

Mol. Formula:
C52H52N10O14

M.W.:
1041.04

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5316200

Name:
Endo-Norborneol

Mol. Formula:
C7H12O

M.W.:
112.17

Type:
---

AlogP:
1.17

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.50

DETAILS

ALA5316195

Name:

Mol. Formula:
C14H20O7

M.W.:
300.31

Type:
---

AlogP:
0.95

Polar Surface Area:
80.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5316194

Name:

Mol. Formula:
C33H40N2O7S

M.W.:
608.76

Type:
---

AlogP:
4.33

Polar Surface Area:
125.40

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS