Compounds

ALA5284995

Name:
(S)-3-(4-(benzyloxy)phenyl)-2-(octadec-9-enamido)propyl dihydrogen phosphatShow More⌵

Mol. Formula:
C34H52NO6P

M.W.:
601.76

Type:
---

AlogP:
8.44

Polar Surface Area:
105.09

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5306092

Name:
BIVB0060BS

Mol. Formula:
C17H16Cl2F3N5O

M.W.:
434.25

Type:
---

AlogP:
4.58

Polar Surface Area:
70.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5306030

Name:
BSJ-4-116-NC

Mol. Formula:
C41H51ClN8O8S

M.W.:
851.43

Type:
---

AlogP:
4.82

Polar Surface Area:
200.31

HBA:
13

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5305920

Name:
T-10458

Mol. Formula:
C26H31N5O3S

M.W.:
493.63

Type:
---

AlogP:
3.41

Polar Surface Area:
83.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5305651

Name:
RO-3306

Mol. Formula:
C18H13N3OS2

M.W.:
351.46

Type:
---

AlogP:
4.06

Polar Surface Area:
54.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5305582

Name:
BI00839671

Mol. Formula:
C31H40F3N7O8S

M.W.:
727.76

Type:
---

AlogP:
4.39

Polar Surface Area:
128.79

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5305548

Name:
T-10504

Mol. Formula:
C27H27BrClFN2O7S

M.W.:
657.94

Type:
---

AlogP:
5.04

Polar Surface Area:
95.94

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5305409

Name:
T-10493

Mol. Formula:
C27H28BrClN2O7S

M.W.:
639.95

Type:
---

AlogP:
4.90

Polar Surface Area:
95.94

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5305289

Name:
BIII1691BS

Mol. Formula:
C21H28N6O3

M.W.:
412.49

Type:
---

AlogP:
2.55

Polar Surface Area:
113.68

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5305251

Name:
DI00625255

Mol. Formula:
C15H20ClN5

M.W.:
305.81

Type:
---

AlogP:
3.24

Polar Surface Area:
53.08

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5305160

Name:
MRT199665

Mol. Formula:
C28H31N5O2

M.W.:
469.59

Type:
---

AlogP:
4.83

Polar Surface Area:
81.59

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5305156

Name:
BIBX1522BS

Mol. Formula:
C20H23ClFN7

M.W.:
415.90

Type:
---

AlogP:
4.24

Polar Surface Area:
78.86

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5303545

Name:
BI00850441

Mol. Formula:
C21H25ClN8O2

M.W.:
456.94

Type:
---

AlogP:
3.22

Polar Surface Area:
116.55

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5303544

Name:
BAY-522

Mol. Formula:
C22H24F2N4O4S

M.W.:
478.52

Type:
---

AlogP:
3.63

Polar Surface Area:
103.18

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5303543

Name:
BAY-110

Mol. Formula:
C24H25FN2O

M.W.:
376.48

Type:
---

AlogP:
4.87

Polar Surface Area:
55.98

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5303542

Name:
BAY-155

Mol. Formula:
C28H28F3N7OS

M.W.:
567.64

Type:
---

AlogP:
4.52

Polar Surface Area:
104.07

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5303541

Name:
BSJ-04-132

Mol. Formula:
C42H49N11O7

M.W.:
819.92

Type:
---

AlogP:
2.89

Polar Surface Area:
204.30

HBA:
14

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5303539

Name:
BIBO3304

Mol. Formula:
C31H36F3N7O5

M.W.:
643.67

Type:
---

AlogP:
2.05

Polar Surface Area:
175.22

HBA:
4

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5303538

Name:
Nintedanib

Mol. Formula:
C31H33N5O4

M.W.:
539.64

Type:
---

AlogP:
4.04

Polar Surface Area:
101.47

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5303537

Name:
BI-1950

Mol. Formula:
C33H30Cl2FN7O6S

M.W.:
742.62

Type:
---

AlogP:
5.16

Polar Surface Area:
133.01

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS