Compounds

ALA5271490

Name:
2-[4-(4-cyanophenoxy)phenyl]sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-Show More⌵

Mol. Formula:
C25H20N4O5S

M.W.:
488.53

Type:
---

AlogP:
3.63

Polar Surface Area:
135.52

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5271422

Name:
4-[4-[4-[4-(4-pyridyl)phenyl]triazol-1-yl]phenyl]sulfonyltetrahydropyran-4-Show More⌵

Mol. Formula:
C25H23N5O5S

M.W.:
505.56

Type:
---

AlogP:
2.82

Polar Surface Area:
136.30

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5270713

Name:
N-[[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]methyl]acetamide

Mol. Formula:
C18H19NO4S2

M.W.:
377.49

Type:
---

AlogP:
3.00

Polar Surface Area:
72.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5269640

Name:
4-ethyl-2-[[4-[[4-ethyl-3-[(4-phenyltriazol-1-yl)methyl]-5-thioxo-1,2,4-triShow More⌵

Mol. Formula:
C32H38N14S2

M.W.:
682.89

Type:
---

AlogP:
4.03

Polar Surface Area:
113.40

HBA:
16

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5268799

Name:
(R)-4-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-N-hydroxy-2-((N-isopropoxy-4'-mShow More⌵

Mol. Formula:
C29H30N2O8S

M.W.:
566.63

Type:
---

AlogP:
4.04

Polar Surface Area:
139.31

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5268474

Name:
(2S)-1-[(2S)-2-[acetyl(methyl)amino]propanoyl]-N-[(1S)-1-[[(1S)-3-[(3,5-difShow More⌵

Mol. Formula:
C29H42F2N6O7

M.W.:
624.69

Type:
---

AlogP:
0.81

Polar Surface Area:
168.46

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5267827

Name:
3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene

Mol. Formula:
C14H25N5

M.W.:
263.39

Type:
---

AlogP:
-0.16

Polar Surface Area:
61.01

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5267731

Name:
N-ethyl-N-((4-(3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl)phenyl)sulfonShow More⌵

Mol. Formula:
C20H23N3O5S2

M.W.:
449.55

Type:
---

AlogP:
3.89

Polar Surface Area:
113.60

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5282693

Name:
1-(2-furylmethyl)-3-(4-oxo-1H-1,5-naphthyridin-3-yl)urea

Mol. Formula:
C14H12N4O3

M.W.:
284.27

Type:
---

AlogP:
1.84

Polar Surface Area:
100.02

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5281328

Name:
1-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]guanidine

Mol. Formula:
C16H17N3O3S2

M.W.:
363.46

Type:
---

AlogP:
2.67

Polar Surface Area:
105.27

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5281310

Name:
N-[(1R)-1-benzyl-3-(4-methylanilino)-2-oxo-propyl]-2-(3-methyl-2-oxo-quinoxShow More⌵

Mol. Formula:
C28H28N4O3

M.W.:
468.56

Type:
---

AlogP:
3.42

Polar Surface Area:
93.09

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5281175

Name:
2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide

Mol. Formula:
C21H15ClN2O3S

M.W.:
410.88

Type:
---

AlogP:
4.37

Polar Surface Area:
93.02

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5281153

Name:
((5-((4-ethylphenyl)ethynyl)thiophen-2-yl)sulfonyl)-L-valine

Mol. Formula:
C19H21NO4S2

M.W.:
391.51

Type:
---

AlogP:
3.10

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5280763

Name:
2-(3-methyl-2-oxo-quinoxalin-1-yl)-N'-[(Z)-2-(3-nitrophenyl)vinyl]acetohydrShow More⌵

Mol. Formula:
C19H17N5O4

M.W.:
379.38

Type:
---

AlogP:
1.90

Polar Surface Area:
119.16

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5280430

Name:
(2S)-2-[[4-[5-(5-ethyl-2-thienyl)isoxazol-3-yl]phenyl]sulfonylamino]-3-methShow More⌵

Mol. Formula:
C20H22N2O5S2

M.W.:
434.54

Type:
---

AlogP:
4.02

Polar Surface Area:
109.50

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5280125

Name:
2-chloro-5-(1-methyl-2-oxo-4,9-dihydro-3H-indeno[2,1-b]pyridine-7-carbonyl)Show More⌵

Mol. Formula:
C20H17ClN2O4S

M.W.:
416.89

Type:
---

AlogP:
2.74

Polar Surface Area:
97.54

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5277215

Name:
3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene

Mol. Formula:
C13H23N5

M.W.:
249.36

Type:
---

AlogP:
-0.55

Polar Surface Area:
61.01

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5276764

Name:
2-chloro-5-[4-(2,5-dihydropyrrol-1-yl)benzoyl]benzenesulfonamide

Mol. Formula:
C17H15ClN2O3S

M.W.:
362.84

Type:
---

AlogP:
2.59

Polar Surface Area:
80.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5276566

Name:
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

Mol. Formula:
C21H21FN4OS

M.W.:
396.49

Type:
---

AlogP:
3.71

Polar Surface Area:
48.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5275421

Name:
N-hydroxy-4-((4-(4-(4-(pyrimidin-5-yl)phenyl)-1H-1,2,3-triazol-1-yl)phenyl)Show More⌵

Mol. Formula:
C24H22N6O5S

M.W.:
506.54

Type:
---

AlogP:
2.22

Polar Surface Area:
149.19

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS