Compounds

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
60.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4647209

Name:
2-[4-(2H-benzimidazol-2-yl)-1-piperidyl]-N-(1-naphthyl)acetamide

Mol. Formula:
C24H24N4O

M.W.:
384.48

Type:
Unknown

AlogP:
2.77

Polar Surface Area:
57.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4646055

Name:
N'-(1,3-benzodioxol-5-yl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethylShow More⌵

Mol. Formula:
C21H23N3O4

M.W.:
381.43

6 activity values

Type:
Unknown

AlogP:
2.10

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4644321

Name:
2-[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidyl]-N-(3,4-dimethylphenyl)acetamidShow More⌵

Mol. Formula:
C22H25N3O2

M.W.:
363.46

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4642640

Name:
N-[2-[[(7aR)-7aH-indol-5-yl]amino]-2-oxo-ethyl]-4-benzyl-piperazine-1-carboShow More⌵

Mol. Formula:
C22H25N5O2

M.W.:
391.48

Type:
Unknown

AlogP:
1.46

Polar Surface Area:
77.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4642142

Name:
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(3-phenylpyrrolidin-1-yl)acetamide

Mol. Formula:
C20H28N2O3

M.W.:
344.46

Type:
Unknown

AlogP:
2.28

Polar Surface Area:
50.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4640585

Name:
(2S)-N-[4-[(2S)-2H-indol-2-yl]phenyl]-1-tetrahydropyran-4-yl-pyrrolidine-2-Show More⌵

Mol. Formula:
C24H27N3O2

M.W.:
389.50

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4640108

Name:
N-(2-oxoazepan-3-yl)-3-(4-oxo-5,6,7,8-tetrahydro-4aH-benzothiopheno[2,3-b]pShow More⌵

Mol. Formula:
C20H25N3O3S

M.W.:
387.51

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
87.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4637674

Name:
(6R)-2-(4-benzylpiperazin-1-yl)-4-oxo-N-phenyl-5,6-dihydro-1H-pyrimidine-6-Show More⌵

Mol. Formula:
C22H25N5O2

M.W.:
391.48

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
77.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4637608

Name:
2-(1-oxophthalazin-2-yl)-N-[(2-oxotetralin-6-yl)methyl]acetamide

Mol. Formula:
C21H19N3O3

M.W.:
361.40

Type:
Unknown

AlogP:
1.77

Polar Surface Area:
81.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4637201

Name:
N-[3-[(4-phenylbenzoyl)amino]propyl]-1H-indole-2-carboxamide

Mol. Formula:
C25H23N3O2

M.W.:
397.48

5 activity values

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
73.99

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4636340

Name:
N-chroman-4-yl-2-(3-oxopiperazin-1-yl)acetamide

Mol. Formula:
C15H19N3O3

M.W.:
289.34

Type:
Unknown

AlogP:
0.06

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4636281

Name:
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-ethylphenyl)acetamide

Mol. Formula:
C21H24N4OS

M.W.:
380.52

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
48.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4635016

Name:
7-hydroxy-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-ylShow More⌵

Mol. Formula:
C20H26N4O3

M.W.:
370.45

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
89.15

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4634890

Name:
2-[4-(2-hydroxy-6-methyl-phenoxy)-1-piperidyl]-N-[4-(morpholinomethyl)phenyShow More⌵

Mol. Formula:
C25H33N3O4

M.W.:
439.56

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
74.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4632455

Name:
2-(3-cyclohexylsulfonyl-4-methyl-anilino)-N-cyclopropyl-acetamide

Mol. Formula:
C18H26N2O3S

M.W.:
350.48

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
75.27

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4582597

Name:
2-(5-(4-butoxyphenyl)-2H-tetrazol-2-yl)-N-(2-methylnaphthalen-1-yl)acetamidShow More⌵

Mol. Formula:
C24H25N5O2

M.W.:
415.50

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4582464

Name:
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(5-(4-morpholinophenyl)-2H-tShow More⌵

Mol. Formula:
C28H28N6O2

M.W.:
480.57

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
76.38

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4578038

Name:
N-(2-(2-(2-(4-methoxyphenyl)-2-oxoethyl)-2H-tetrazol-5-yl)phenyl)isonicotinShow More⌵

Mol. Formula:
C22H18N6O3

M.W.:
414.43

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
111.89

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4551614

Name:
2-(5-(4'-methoxybiphenyl-4-yl)-2H-tetrazol-2-yl)-1-phenylethanone

Mol. Formula:
C22H18N4O2

M.W.:
370.41