Compounds

ALA5272125

Name:
(2-{[(2S)-1-(4-{[2-(7-carbamoyl-1H-1,3-benzodiazol-2-yl)-2-methylpyrrolidinShow More⌵

Mol. Formula:
C45H45ClN5O6P

M.W.:
818.31

Type:
---

AlogP:
6.10

Polar Surface Area:
156.71

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5271762

Name:

Mol. Formula:
C15H12N4O4S

M.W.:
344.35

Type:
---

AlogP:
1.45

Polar Surface Area:
120.33

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5270165

Name:
(4-{[(2S)-2-{[(tert-butoxy)carbonyl]amino}propanoyl]oxy}phenyl)methyl 2-(4-Show More⌵

Mol. Formula:
C29H35N5O7

M.W.:
565.63

Type:
---

AlogP:
4.13

Polar Surface Area:
165.94

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5268593

Name:
5-hydroxyisoquinolinone

Mol. Formula:
C9H9NO2

M.W.:
163.18

Type:
---

AlogP:
0.68

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA5279475

Name:

Mol. Formula:
C20H13N5O5S

M.W.:
435.42

Type:
---

AlogP:
2.96

Polar Surface Area:
157.00

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5279030

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

Mol. Formula:
C68H88N10O13

M.W.:
1253.51

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5276959

Name:
3-phenyl-10-(thiophen-2-yl)-2-thioxo-2,3-dihydro-1H-pyrano[2,3-d:5,6-d']dipShow More⌵

Mol. Formula:
C19H12N4O4S2

M.W.:
424.46

Type:
---

AlogP:
2.62

Polar Surface Area:
112.74

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5275672

Name:
N1,N3-bis(2-(2-(3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phShow More⌵

Mol. Formula:
C29H34N10O2S2

M.W.:
618.79

Type:
---

AlogP:
3.23

Polar Surface Area:
128.66

HBA:
14

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5275103

Name:
6-(methoxyamino)-2,4-dioxo-5-(thiophen-2-yl)-2,3,4,5-tetrahydro-1H-pyrano[2Show More⌵

Mol. Formula:
C13H10N4O4S

M.W.:
318.31

Type:
---

AlogP:
0.54

Polar Surface Area:
120.00

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5274535

Name:
4-amino-2-mercapto-10-(thiophen-2-yl)-6H-pyrano[2,3-d:5,6-d']dipyrimidine-7Show More⌵

Mol. Formula:
C13H9N5O3S2

M.W.:
347.38

Type:
---

AlogP:
1.07

Polar Surface Area:
126.75

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5274451

Name:
7-(2-fluorophenyl)-4,5-dihydrospiro[benzo[c]azepine-1,1'-cyclohexan]-3(2H)-Show More⌵

Mol. Formula:
C21H22FNO

M.W.:
323.41

Type:
---

AlogP:
4.71

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5286956

Name:
Mefuparib hydrochloride

Mol. Formula:
C17H16ClFN2O2

M.W.:
334.78

Type:
---

AlogP:
3.06

Polar Surface Area:
68.26

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5285912

Name:
{4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2R,3E,5S)-2-benzyl-5-{[(tert-butoxy)carbonyl]Show More⌵

Mol. Formula:
C65H84N10O11

M.W.:
1181.45

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5284183

Name:
5-(4-(pyrrolidin-1-ylmethyl)phenyl)-2,3,4,6-tetrahydro-1H-indeno[7,1-cd]azeShow More⌵

Mol. Formula:
C23H24N2O

M.W.:
344.46

Type:
---

AlogP:
3.88

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5283904

Name:
3-amino-1-(2,5-dinitrophenyl)-9-(thiophen-2-yl)-7,9-dihydropyrazolo[3',4':5Show More⌵

Mol. Formula:
C18H11N7O7S

M.W.:
469.40

Type:
---

AlogP:
1.99

Polar Surface Area:
205.07

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5283272

Name:
1-ethoxy-3-(morpholinomethyl)phenanthridin-6(5H)-one

Mol. Formula:
C20H22N2O3

M.W.:
338.41

Type:
---

AlogP:
2.91

Polar Surface Area:
54.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5283140

Name:
Dihydroisoquinolinone

Mol. Formula:
C9H10ClN

M.W.:
167.64

Type:
---

AlogP:
1.76

Polar Surface Area:
12.03

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA5290559

Name:
4-amino-10-(thiophen-2-yl)-6H-pyrano[2,3-d:5,6-d']dipyrimidine-7,9(8H,10H)-Show More⌵

Mol. Formula:
C13H9N5O3S

M.W.:
315.31

Type:
---

AlogP:
0.78

Polar Surface Area:
126.75

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

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

ALA5277605

Name:
10-(thiophen-2-yl)-2,4-dithioxo-3,4,8,10-tetrahydro-1H-pyrano[2,3-d:5,6-d']Show More⌵

Mol. Formula:
C13H8N4O3S3

M.W.:
364.43

Type:
---

AlogP:
2.53

Polar Surface Area:
106.53

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS