Compounds

ALA5272594

Name:
2-((2-aminoacetamido)methyl)-N-(4-chlorobenzyl)-8-(morpholinomethyl)-6-oxo-Show More⌵

Mol. Formula:
C27H28ClN5O4

M.W.:
522.01

Type:
---

AlogP:
1.88

Polar Surface Area:
118.17

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5272484

Name:
3-(2-(4-(4-methylbenzoyl)piperazin-1-yl)acetamido)-5-phenylthiophene-2-carbShow More⌵

Mol. Formula:
C25H26N4O3S

M.W.:
462.58

Type:
---

AlogP:
3.22

Polar Surface Area:
95.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5270645

Name:
5-(3-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-methShow More⌵

Mol. Formula:
C29H26Cl2N4O5

M.W.:
581.46

Type:
---

AlogP:
7.19

Polar Surface Area:
111.97

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5268548

Name:
5-(3-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-methShow More⌵

Mol. Formula:
C28H24Cl2N4O5

M.W.:
567.43

Type:
---

AlogP:
6.71

Polar Surface Area:
111.97

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5268498

Name:
N-[(4-Chlorophenyl)methyl]-2-(2-[(methanesulfonyl)amino]ethyl)-8-[(morpholiShow More⌵

Mol. Formula:
C27H29ClN4O5S

M.W.:
557.07

Type:
---

AlogP:
2.40

Polar Surface Area:
109.22

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5267981

Name:
2-(5-((4-chlorobenzyl)carbamoyl)-8-(morpholinomethyl)-6-oxo-6H-pyrrolo[3,2,Show More⌵

Mol. Formula:
C26H24ClN3O5

M.W.:
493.95

Type:
---

AlogP:
2.93

Polar Surface Area:
100.35

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5279605

Name:
(S)-5-(4-(1-((2-amino-6-chloropyridin-3-yl)methyl)piperidin-4-yl)-3-ethylpiShow More⌵

Mol. Formula:
C23H33ClN8O

M.W.:
473.03

Type:
---

AlogP:
2.08

Polar Surface Area:
117.50

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5279349

Name:
2-(acetamidomethyl)-N-(4-chlorobenzyl)-8-(morpholinomethyl)-6-oxo-6H-pyrrolShow More⌵

Mol. Formula:
C27H27ClN4O4

M.W.:
506.99

Type:
---

AlogP:
2.94

Polar Surface Area:
92.15

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5278861

Name:
(S)-4-((5-(2-(1-(3-chlorobenzyl)-2-oxopyrrolidin-3-yl)ethyl)-1H-imidazol-1-Show More⌵

Mol. Formula:
C24H23ClN4O

M.W.:
418.93

Type:
---

AlogP:
4.44

Polar Surface Area:
61.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5275000

Name:
5-(3-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-methShow More⌵

Mol. Formula:
C30H28Cl2N4O5

M.W.:
595.48

Type:
---

AlogP:
7.75

Polar Surface Area:
111.97

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5274361

Name:
N-(4-chlorobenzyl)-8-(morpholinomethyl)-6-oxo-2-((sulfamoylamino)methyl)-6HShow More⌵

Mol. Formula:
C25H26ClN5O5S

M.W.:
544.03

Type:
---

AlogP:
1.60

Polar Surface Area:
135.24

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5286448

Name:

Mol. Formula:
C25H25N5O

M.W.:
411.51

Type:
---

AlogP:
4.09

Polar Surface Area:
66.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5286319

Name:
N-[(4-Chlorophenyl)methyl]-8-[(morpholin-4-yl)methyl]-6-oxo-2-[2-(sulfamoylShow More⌵

Mol. Formula:
C26H28ClN5O5S

M.W.:
558.06

Type:
---

AlogP:
1.64

Polar Surface Area:
135.24

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5283333

Name:
2-(2-Aminoethyl)-N-[(4-chlorophenyl)methyl]-8-[(morpholin-4-yl)methyl]-6-oxShow More⌵

Mol. Formula:
C26H27ClN4O3

M.W.:
478.98

Type:
---

AlogP:
2.81

Polar Surface Area:
89.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5282825

Name:
(S)-3-(4-(5-((1H-imidazol-1-yl)methyl)-6-chloro-3,3-dimethylindoline-1-carbShow More⌵

Mol. Formula:
C26H24ClN5O2

M.W.:
473.96

Type:
---

AlogP:
4.13

Polar Surface Area:
82.23

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5292015

Name:
flutropium

Mol. Formula:
C24H29FNO3+

M.W.:
398.50

Type:
---

AlogP:
3.58

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5291487

Name:
N-(4-chlorobenzyl)-2-(methylsulfonamidomethyl)-8-(morpholinomethyl)-6-oxo-6Show More⌵

Mol. Formula:
C26H27ClN4O5S

M.W.:
543.05

Type:
---

AlogP:
2.36

Polar Surface Area:
109.22

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5290251

Name:
2-(Aminomethyl)-N-[(4-chlorophenyl)methyl]-8-[(morpholin-4-y1)methyl]-6-oxoShow More⌵

Mol. Formula:
C25H25ClN4O3

M.W.:
464.95

Type:
---

AlogP:
2.76

Polar Surface Area:
89.07

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5289009

Name:
5-(3-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-methShow More⌵

Mol. Formula:
C29H23Cl2N3O5

M.W.:
564.43

Type:
---

AlogP:
7.37

Polar Surface Area:
107.04

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5277680

Name:
N-(4-chlorobenzyl)-1-(2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl)-2-oxo-1,2-dShow More⌵

Mol. Formula:
C23H23ClN4O3

M.W.:
438.92

Type:
---

AlogP:
2.85

Polar Surface Area:
84.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS