Compounds

ALA5267685

Name:
[(3S)-3-hydroxyhexyl] 3-[(5R,6R,10R)-2-ethyl-2,6,10-trimethyl-1-oxaspiro[4.Show More⌵

Mol. Formula:
C23H38O4

M.W.:
378.55

Type:
---

AlogP:
4.96

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5267677

Name:
(2-(((4-methoxyphenyl)amino)methyl)-1H-benzo[d]imidazol-1-yl)(phenyl)methanShow More⌵

Mol. Formula:
C22H19N3O2

M.W.:
357.41

Type:
---

AlogP:
4.35

Polar Surface Area:
56.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5267656

Name:
(NZ)-N-[3-phenyl-4-(p-tolyl)thiazol-2-ylidene]thiophene-2-carboxamide

Mol. Formula:
C21H16N2OS2

M.W.:
376.51

Type:
---

AlogP:
5.32

Polar Surface Area:
34.36

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5267632

Name:
diethyl ((5-(2-fluorophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamidShow More⌵

Mol. Formula:
C27H28FN4O6PS

M.W.:
586.58

Type:
---

AlogP:
5.02

Polar Surface Area:
142.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5267453

Name:
(7E)-3-(5-bromo-2-thienyl)-7-[(5-bromo-2-thienyl)methylene]-5-methyl-2-phenShow More⌵

Mol. Formula:
C22H19Br2N3S2

M.W.:
549.36

Type:
---

AlogP:
6.90

Polar Surface Area:
18.84

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5267320

Name:
[(E,5S,6R)-5-hydroxy-6-(hydroxymethyl)-1,1,5-trimethyl-oct-2-enyl] 2-[(5R,6Show More⌵

Mol. Formula:
C28H46O5

M.W.:
462.67

Type:
---

AlogP:
5.51

Polar Surface Area:
75.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5267258

Name:
5-[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-3-(butylamino)-2-phenoShow More⌵

Mol. Formula:
C24H24BrN5O3S2

M.W.:
574.53

Type:
---

AlogP:
6.01

Polar Surface Area:
115.03

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5267222

Name:
2-hydroxy-3-[2-(6-hydroxy-1,2,4a-trimethyl-5-methylene-decalin-1-yl)ethyl]-Show More⌵

Mol. Formula:
C20H30O4

M.W.:
334.46

Type:
---

AlogP:
3.34

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5267093

Name:
diethyl ((4-bromophenyl)(5-(3-methoxyphenyl)-1-(4-sulfamoylphenyl)-1H-pyrazShow More⌵

Mol. Formula:
C28H30BrN4O7PS

M.W.:
677.51

Type:
---

AlogP:
5.65

Polar Surface Area:
151.84

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5267080

Name:
3-(butylamino)-N-[(Z)-[4-(4-chlorophenyl)-3-phenyl-thiazol-2-ylidene]amino]Show More⌵

Mol. Formula:
C32H30ClN5O4S2

M.W.:
648.21

Type:
---

AlogP:
6.76

Polar Surface Area:
127.81

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5266991

Name:
1-Methylene-3-(4-(methylsulfonyl)phenyl)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4Show More⌵

Mol. Formula:
C27H27N3O5S

M.W.:
505.60

Type:
---

AlogP:
4.70

Polar Surface Area:
82.89

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5266412

Name:
2-(6-(3-methyl-9,9a-dihydrobenzo[4,5]imidazo[2,1-b]thiazol-2-yl)nicotinoyl)Show More⌵

Mol. Formula:
C23H20N6OS2

M.W.:
460.59

Type:
---

AlogP:
4.36

Polar Surface Area:
81.32

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5266132

Name:
diethyl ((2-methoxyphenyl)(1-(4-sulfamoylphenyl)-5-(thiophen-3-yl)-1H-pyrazShow More⌵

Mol. Formula:
C26H29N4O7PS2

M.W.:
604.65

Type:
---

AlogP:
4.95

Polar Surface Area:
151.84

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5265917

Name:
diethyl ((5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamidShow More⌵

Mol. Formula:
C27H28ClN4O6PS

M.W.:
603.04

Type:
---

AlogP:
5.53

Polar Surface Area:
142.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5265839

Name:
5-[(E)-[3-(5-hydroxy-2-thienyl)-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazoShow More⌵

Mol. Formula:
C22H21N3O2S2

M.W.:
423.56

Type:
---

AlogP:
4.78

Polar Surface Area:
59.30

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5282595

Name:
(2R,4S,5R,8R)-4-hydroxy-10,11-dimethoxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trimethoShow More⌵

Mol. Formula:
C26H37NO10

M.W.:
523.58

Type:
---

AlogP:
1.03

Polar Surface Area:
122.22

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5282558

Name:
diethyl ((1-(2-fluorophenyl)-5-(naphthalen-1-yl)-1H-pyrazole-3-carboxamido)Show More⌵

Mol. Formula:
C31H29FN3O4P

M.W.:
557.56

Type:
---

AlogP:
7.53

Polar Surface Area:
82.45

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5282385

Name:
(E)-3-(2,3-difluorophenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Mol. Formula:
C16H12F2O3S

M.W.:
322.33

Type:
---

AlogP:
3.26

Polar Surface Area:
51.21

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5282224

Name:
2-(1-([1,1'-biphenyl]-4-ylmethyl)-5-nitro-1H-benzo[d]imidazol-2-yl)isoindolShow More⌵

Mol. Formula:
C28H18N4O4

M.W.:
474.48

Type:
---

AlogP:
5.46

Polar Surface Area:
98.34

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5282220

Name:
4-(2-((3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazol-4-yl)methylene)hShow More⌵

Mol. Formula:
C22H19ClN6O4S2

M.W.:
531.02

Type:
---

AlogP:
2.93

Polar Surface Area:
162.53

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS