Compounds

ALA5272695

Name:
13,13'-O-isopropylidene-riccardin D

Mol. Formula:
C32H32O4

M.W.:
480.60

Type:
---

AlogP:
7.53

Polar Surface Area:
47.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5272574

Name:
2-(2,4-difluorophenyl)-1-((4-fluorophenyl)selanyl)-3-(1H-1,2,4-triazol-1-ylShow More⌵

Mol. Formula:
C17H14F3N3OSe

M.W.:
412.27

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272557

Name:
(5-(2-chloroquinolin-3-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)(Show More⌵

Mol. Formula:
C24H16ClFN4O

M.W.:
430.87

Type:
---

AlogP:
5.41

Polar Surface Area:
58.45

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5272548

Name:
Ethyl 10-amino-6-oxo-6H-chromeno[4',3':3,4]pyrazolo[5,1-c][1,2,4]triazine-9Show More⌵

Mol. Formula:
C15H11N5O4

M.W.:
325.28

Type:
---

AlogP:
1.14

Polar Surface Area:
125.61

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5272416

Name:
(2S,5S)-2,5-dibenzyl-1,4-dimethylpiperazine

Mol. Formula:
C20H26N2

M.W.:
294.44

Type:
---

AlogP:
3.09

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5272392

Name:
(2E)-3-[2-(diethylamino)quinolin-3-yl]-1-(4-fluorophenyl)prop-2-en-1-one

Mol. Formula:
C22H21FN2O

M.W.:
348.42

Type:
---

AlogP:
5.12

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5272232

Name:
Bivittoside D

Mol. Formula:
C66H108O32

M.W.:
1413.56

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272077

Name:
Riccardin B

Mol. Formula:
C28H24O4

M.W.:
424.50

Type:
---

AlogP:
6.57

Polar Surface Area:
58.92

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5271920

Name:
3-hydroxy-2-((4-(3-methoxyphenyl)piperazin-1-yl)methyl)-6-methyl-4H-pyran-4Show More⌵

Mol. Formula:
C18H22N2O4

M.W.:
330.38

Type:
---

AlogP:
1.98

Polar Surface Area:
66.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5271673

Name:
Noonindole G

Mol. Formula:
C33H43NO8

M.W.:
581.71

Type:
---

AlogP:
2.67

Polar Surface Area:
141.47

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271531

Name:
3-hydroxy-6-methyl-2-((4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)-Show More⌵

Mol. Formula:
C18H19F3N2O3

M.W.:
368.36

Type:
---

AlogP:
2.99

Polar Surface Area:
56.92

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5271524

Name:
2'-(2',4'-difluoro-[1,1'-biphenyl]-4-carbonyl)-1'-(p-tolyl)-1',2',5',6',7',Show More⌵

Mol. Formula:
C34H28F2N2O2

M.W.:
534.61

Type:
---

AlogP:
6.85

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5271439

Name:
2-(2,4-difluorophenyl)-1-((2,6-dimethylphenyl)selanyl)-3-(1H-1,2,4-triazol-Show More⌵

Mol. Formula:
C19H19F2N3OSe

M.W.:
422.34

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271321

Name:
7-chloro-N-{4-[5-(4-methylphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenShow More⌵

Mol. Formula:
C31H25ClN4

M.W.:
489.02

Type:
---

AlogP:
8.30

Polar Surface Area:
40.52

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5271298

Name:
Callipeltin G

Mol. Formula:
C54H100N16O17

M.W.:
1245.49

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271271

Name:
(2R,5S)-2,5-dibenzyl-1,4-dimethylpiperazine

Mol. Formula:
C20H26N2

M.W.:
294.44

Type:
---

AlogP:
3.09

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5271008

Name:
Pyridoxatin

Mol. Formula:
C15H21NO3

M.W.:
263.34

Type:
---

AlogP:
2.74

Polar Surface Area:
62.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5270855

Name:
3-(2-(4-nitrophenyl)-2-oxoethyl)-5-(3-(4-oxo-4H-chromen-2-yl)benzylidene)thShow More⌵

Mol. Formula:
C27H16N2O7S

M.W.:
512.50

Type:
---

AlogP:
5.29

Polar Surface Area:
127.80

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5270767

Name:
(2E)-3-(2-ethoxyquinolin-3-yl)-1-(4-nitrophenyl)prop-2-en-1-one

Mol. Formula:
C20H16N2O4

M.W.:
348.36

Type:
---

AlogP:
4.44

Polar Surface Area:
82.33

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5270702

Name:
Callipeltin K

Mol. Formula:
C66H114N18O21

M.W.:
1495.74

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS