Compounds

ALA5272712

Name:
(S)-3-fluoro-N-(4-(N-(2-oxotetrahydrofuran-3-yl)sulfamoyl)phenyl)benzamide

Mol. Formula:
C17H15FN2O5S

M.W.:
378.38

Type:
---

AlogP:
1.67

Polar Surface Area:
101.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5272368

Name:
1-cyclohexylethan-1-one

Mol. Formula:
C8H14O

M.W.:
126.20

Type:
---

AlogP:
2.16

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.53

DETAILS

ALA5272102

Name:
4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl 2,4-dihydroxybenzoate

Mol. Formula:
C32H20O10

M.W.:
564.50

Type:
---

AlogP:
5.12

Polar Surface Area:
167.64

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5272048

Name:
(S)-3-(benzo[d]thiazol-2-ylthio)-N-(2-oxotetrahydrofuran-3-yl)propanamide

Mol. Formula:
C14H14N2O3S2

M.W.:
322.41

Type:
---

AlogP:
2.21

Polar Surface Area:
68.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5271897

Name:
1-(3-bromophenyl)ethan-1-one

Mol. Formula:
C8H7BrO

M.W.:
199.05

Type:
---

AlogP:
2.65

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA5271749

Name:
Integrasone C

Mol. Formula:
C18H26O6

M.W.:
338.40

Type:
---

AlogP:
1.42

Polar Surface Area:
96.36

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271491

Name:
Integrasone D1

Mol. Formula:
C18H28O5

M.W.:
324.42

Type:
---

AlogP:
1.89

Polar Surface Area:
79.29

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5271059

Name:
N-(4-chlorobenzyl)-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide

Mol. Formula:
C14H12ClNO4

M.W.:
293.71

Type:
---

AlogP:
2.24

Polar Surface Area:
79.54

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5271026

Name:
1-(6-fluoropyridin-3-yl)ethan-1-one

Mol. Formula:
C7H6FNO

M.W.:
139.13

Type:
---

AlogP:
1.42

Polar Surface Area:
29.96

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.43

DETAILS

ALA5271012

Name:
1-cyclopentylethan-1-one

Mol. Formula:
C7H12O

M.W.:
112.17

Type:
---

AlogP:
1.77

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.50

DETAILS

ALA5270861

Name:
4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl 2-hydroxybenzoate

Mol. Formula:
C32H20O9

M.W.:
548.50

Type:
---

AlogP:
5.42

Polar Surface Area:
147.41

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5270800

Name:
2-({4-[bis(1-hydroxy-3-oxo-3,4-dihydronaphthalen-2-yl)methyl]phenyl}[2-(4-mShow More⌵

Mol. Formula:
C47H41NO8

M.W.:
747.84

Type:
---

AlogP:
8.10

Polar Surface Area:
130.44

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5270565

Name:
5-amino-8-((4-(4-((4-amino-6-sulfonaphthalen-1-yl)diazenyl)-2-sulfostyryl)-Show More⌵

Mol. Formula:
C34H26N6O12S4

M.W.:
838.88

Type:
---

AlogP:
7.15

Polar Surface Area:
318.96

HBA:
14

HBD:
6

#RO5 Violations:
4

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5270509

Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one

Mol. Formula:
C14H19BO3

M.W.:
246.11

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270420

Name:
2-oxo-2-(3-(m-tolyl)ureido)ethyl (S)-(2-oxotetrahydrofuran-3-yl)carbamodithShow More⌵

Mol. Formula:
C15H17N3O4S2

M.W.:
367.45

Type:
---

AlogP:
1.57

Polar Surface Area:
96.53

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5270393

Name:
Integrasone E

Mol. Formula:
C18H26O5

M.W.:
322.40

Type:
---

AlogP:
2.99

Polar Surface Area:
83.20

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5270359

Name:
1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-one

Mol. Formula:
C10H6F6O

M.W.:
256.14

Type:
---

AlogP:
3.93

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5270340

Name:
(S)-N-(4-(N-(2-oxotetrahydrofuran-3-yl)sulfamoyl)phenyl)-2-(trifluoromethylShow More⌵

Mol. Formula:
C18H15F3N2O5S

M.W.:
428.39

Type:
---

AlogP:
2.55

Polar Surface Area:
101.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5270328

Name:
4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]phenyl 5-(1,2-dithiolan-3-yl)Show More⌵

Mol. Formula:
C33H28O8S2

M.W.:
616.71

Type:
---

AlogP:
7.11

Polar Surface Area:
127.18

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5270252

Name:
1-(pyrimidin-5-yl)ethan-1-one

Mol. Formula:
C6H6N2O

M.W.:
122.13

Type:
---

AlogP:
0.68

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.51

DETAILS