Compounds

Type:
Small molecule

AlogP:
1.09

Polar Surface Area:
87.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3350461

Name:
(3S,4R,5S)-1,6-Dimethyl-5-phenyl-piperidine-3,4-dicarboxylic acid diethyl eShow More⌵

Mol. Formula:
C19H25NO4

M.W.:
331.41

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
55.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3350460

Name:
(3S,4S,5R)-5-Hydroxy-1,6-dimethyl-5-phenyl-piperidine-3,4-dicarboxylic acidShow More⌵

Mol. Formula:
C19H27NO5

M.W.:
349.43

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
76.07

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA538318

Name:
[Methyl-(1-methyl-2-oxo-2-phenyl-ethyl)-amino]-acetic acid methyl ester hydShow More⌵

Mol. Formula:
C13H18ClNO3

M.W.:
271.74

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
46.61

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA540611

Name:
(Z)-4-(Methoxycarbonylmethyl-methyl-amino)-3-phenyl-pent-2-enoic acid methyShow More⌵

Mol. Formula:
C37H44ClN3O7

M.W.:
678.23

3 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA541821

Name:
1-{2-[2-(3-Chloro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-ethoxy]-Show More⌵

Mol. Formula:
C25H29Cl2NO3

M.W.:
462.42

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA541561

Name:
1-{3-[2-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-ethoxy]-propyl}-pShow More⌵

Mol. Formula:
C26H32ClNO3

M.W.:
442.00

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA538502

Name:
1-{2-[2-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-ethoxy]-ethyl}-piperidine-3Show More⌵

Mol. Formula:
C24H31ClN2O3

M.W.:
430.98

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA563076

Name:
1-{2-[2-(2-Trifluoromethyl-phenothiazin-10-yl)-ethoxy]-ethyl}-piperidine-3-Show More⌵

Mol. Formula:
C23H26ClF3N2O3S

M.W.:
502.99

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
53.01

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA541556

Name:
1-[2-(2-Carbazol-9-yl-ethoxy)-ethyl]-piperidine-3-carboxylic acid hydrochloShow More⌵

Mol. Formula:
C22H27ClN2O3

M.W.:
402.92

1 activity values

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
54.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA540541

Name:
1-[2-(2-Phenothiazin-10-yl-ethoxy)-ethyl]-piperidine-3-carboxylic acid hydrShow More⌵

Mol. Formula:
C22H27ClN2O3S

M.W.:
434.99

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
53.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA539773

Name:
1-[2-(3,7-Dichloro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylideneaminooxy)Show More⌵

Mol. Formula:
C23H25Cl3N2O3

M.W.:
483.82

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
62.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA556178

Name:
1-{2-[2-(2,8-Difluoro-10,11-dihydro-dibenzo[b,f]azepin-5-yl)-ethoxy]-ethyl}Show More⌵

Mol. Formula:
C24H29ClF2N2O3

M.W.:
466.96

1 activity values

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA535148

Name:
[Methyl-(1-methyl-2-oxo-2-phenyl-ethyl)-amino]-acetic acid ethyl ester hydrShow More⌵

Mol. Formula:
C14H20ClNO3

M.W.:
285.77

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
46.61

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA534702

Name:
1,6-Dimethyl-3-oxo-5-phenyl-1,2,3,6-tetrahydro-pyridine-2-carboxylic acid eShow More⌵

Mol. Formula:
C37H42ClN3O6

M.W.:
660.21

3 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA558391

Name:
(Z)-4-(Ethoxycarbonylmethyl-methyl-amino)-3-phenyl-pent-2-enoic acid ethyl Show More⌵

Mol. Formula:
C39H48ClN3O7

M.W.:
706.28

3 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA543108

Name:
1-{2-[2-(3-Chloro-10,11-dihydro-dibenzo[b,f]azepin-5-yl)-ethoxy]-ethyl}-pipShow More⌵

Mol. Formula:
C24H30Cl2N2O3

M.W.:
465.42

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA553068

Name:
(1-{2-[2-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-ethoxy]-ethyl}-pyrrolidin-Show More⌵

Mol. Formula:
C24H31ClN2O3

M.W.:
430.98

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA542641

Name:
1-{2-[2-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-ethoxy]-ethyl}-1,4,Show More⌵

Mol. Formula:
C25H30ClNO3

M.W.:
427.97

1 activity values

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA553053

Name:
1-{2-[3-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-propoxy]-ethyl}-piperidine-Show More⌵

Mol. Formula:
C25H33ClN2O3

M.W.:
445.00