Compounds

ALA5305350

Name:
ENTACAPONE

Mol. Formula:
C14H15N3O5

M.W.:
305.29

Type:
---

AlogP:
1.78

Polar Surface Area:
127.70

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5308026

Name:
ROSUVASTATIN CALCIUM

Mol. Formula:
C22H28FN3O6S

M.W.:
481.55

Type:
---

AlogP:
2.40

Polar Surface Area:
140.92

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5307908

Name:
BETAMETHASONE ACETATE

Mol. Formula:
C24H31FO6

M.W.:
434.50

Type:
---

AlogP:
2.47

Polar Surface Area:
100.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5307723

Name:
CYPROTERONE ACETATE

Mol. Formula:
C24H29ClO4

M.W.:
416.95

Type:
---

AlogP:
4.61

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5307579

Name:
NORGESTIMATE

Mol. Formula:
C23H31NO3

M.W.:
369.51

Type:
---

AlogP:
4.71

Polar Surface Area:
58.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5307038

Name:
TRIPROLIDINE

Mol. Formula:
C19H22N2

M.W.:
278.40

Type:
---

AlogP:
3.92

Polar Surface Area:
16.13

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5306911

Name:
ELETRIPTAN HYDROBROMIDE

Mol. Formula:
C22H26N2O2S

M.W.:
382.53

Type:
---

AlogP:
3.82

Polar Surface Area:
53.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5306865

Name:
NORETHINDRONE ACETATE

Mol. Formula:
C22H28O3

M.W.:
340.46

Type:
---

AlogP:
4.06

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5306699

Name:
BROMOCRIPTINE MESYLATE

Mol. Formula:
C32H40BrN5O5

M.W.:
654.61

Type:
---

AlogP:
3.19

Polar Surface Area:
118.21

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5306424

Name:
SOLIFENACIN SUCCINATE

Mol. Formula:
C23H26N2O2

M.W.:
362.47

Type:
---

AlogP:
2.93

Polar Surface Area:
41.57

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5306174

Name:
ETHYNODIOL DIACETATE

Mol. Formula:
C24H32O4

M.W.:
384.52

Type:
---

AlogP:
4.28

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4299695

Name:
PITAVASTATIN CALCIUM

Mol. Formula:
C25H24FNO4

M.W.:
421.47

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
90.65

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3188048

Name:
MIFEPRISTONE

Mol. Formula:
C29H35NO2

M.W.:
429.60

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3186637

Name:
LOVASTATIN

Mol. Formula:
C24H36O5

M.W.:
404.55

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3186310

Name:
BETAMETHASONE VALERATE

Mol. Formula:
C27H37FO6

M.W.:
476.59

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
100.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3185830

Name:
MEGESTROL ACETATE

Mol. Formula:
C24H32O4

M.W.:
384.52

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3185085

Name:
LINAGLIPTIN

Mol. Formula:
C25H28N8O2

M.W.:
472.55

Type:
Small molecule

AlogP:
1.15

Polar Surface Area:
116.86

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3184827

Name:
LEVONORGESTREL

Mol. Formula:
C21H28O2

M.W.:
312.45

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3182644

Name:
DEFLAZACORT

Mol. Formula:
C25H31NO6

M.W.:
441.52

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
102.26

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3182552

Name:
RITONAVIR

Mol. Formula:
C37H48N6O5S2

M.W.:
720.96

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
145.78

HBA:
9

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.11

DETAILS