Compounds

ALA5272686

Name:
(2S)-N-(4-(3-(3-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-5-oxo-2-thioxoShow More⌵

Mol. Formula:
C31H27FN4O5S

M.W.:
586.65

Type:
---

AlogP:
4.08

Polar Surface Area:
115.12

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5272668

Name:
Methyl N-[(1R)-1-[(2R)-2-[5-[2-[2-[(2R)-1-[(2R)-2-(methoxycarbonylamino)-3-Show More⌵

Mol. Formula:
C33H44N10O6S

M.W.:
708.85

Type:
---

AlogP:
4.26

Polar Surface Area:
191.94

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5272512

Name:
5-(3,3-dimethylbut-1-yn-1-yl)-3-((trans)-4-methyl-N-((R)-1-methyl-2-oxoazepShow More⌵

Mol. Formula:
C26H36N2O4S

M.W.:
472.65

Type:
---

AlogP:
5.01

Polar Surface Area:
77.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5272108

Name:
5-(3,3-dimethylbut-1-yn-1-yl)-3-((trans)-4-methyl-N-((S)-1-methyl-2-oxopyrrShow More⌵

Mol. Formula:
C24H32N2O4S

M.W.:
444.60

Type:
---

AlogP:
4.23

Polar Surface Area:
77.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5272001

Name:
methyl N-[(1S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-Show More⌵

Mol. Formula:
C44H53N9O6

M.W.:
803.96

Type:
---

AlogP:
6.73

Polar Surface Area:
179.57

HBA:
9

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5270718

Name:
Ampelopsin A

Mol. Formula:
C28H22O7

M.W.:
470.48

Type:
---

AlogP:
4.66

Polar Surface Area:
130.61

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5270256

Name:
(S)-5-(3,3-Dimethylbutyn-1-yl)-3-((trans-4-methylcyclohexanoyl)(1-methyl-2-Show More⌵

Mol. Formula:
C26H36N2O4S

M.W.:
472.65

Type:
---

AlogP:
5.01

Polar Surface Area:
77.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5269989

Name:
(2S)-1-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-Show More⌵

Mol. Formula:
C42H48N6O5S

M.W.:
748.95

Type:
---

AlogP:
5.68

Polar Surface Area:
139.95

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5267922

Name:
Methyl N-[(1R)-1-[(2R)-2-[5-[6-[2-[(2R)-1-[(2R)-2-(methoxycarbonylamino)-3-Show More⌵

Mol. Formula:
C34H44N8O6S2

M.W.:
724.91

Type:
---

AlogP:
5.83

Polar Surface Area:
174.64

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5279516

Name:
Methyl N-[(1R)-1-[(2R)-2-[5-[6-[2-chloro-4-[2-[(2R)-1-[(2R)-2-(methoxycarboShow More⌵

Mol. Formula:
C40H48ClN9O6S

M.W.:
818.40

Type:
---

AlogP:
7.21

Polar Surface Area:
179.57

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5277142

Name:
Methyl N-[(1R)-1-[(2R)-2-[5-[5-[4-[2-[(2R)-1-[(2R)-2-(methoxycarbonylamino)Show More⌵

Mol. Formula:
C40H48N8O7S

M.W.:
784.94

Type:
---

AlogP:
7.03

Polar Surface Area:
187.78

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5275587

Name:
Vitisin B

Mol. Formula:
C56H42O12

M.W.:
906.94

Type:
---

AlogP:
11.00

Polar Surface Area:
209.76

HBA:
12

HBD:
9

#RO5 Violations:
4

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5273509

Name:
Wilsonol C

Mol. Formula:
C58H46O10

M.W.:
903.00

Type:
---

AlogP:
11.42

Polar Surface Area:
191.30

HBA:
10

HBD:
9

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5291400

Name:
Methyl N-[(1R)-1-[(2R)-2-[5-[5-[2-[(2R)-1-[(2R)-2-(methoxycarbonylamino)-3-Show More⌵

Mol. Formula:
C34H44N8O6S2

M.W.:
724.91

Type:
---

AlogP:
5.83

Polar Surface Area:
174.64

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5291172

Name:
Rac-13-cyclohexyl-6-(morpholine-4-carbonyl)-6,7-dihydro-5H-benzo[3,4]azepinShow More⌵

Mol. Formula:
C29H32N2O4

M.W.:
472.59

Type:
---

AlogP:
5.09

Polar Surface Area:
71.77

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5290800

Name:
(4bS,5aR)-12-cyclohexyl-5a-((2R,6S)-2,6-dimethylmorpholine-4-carbonyl)-N-(NShow More⌵

Mol. Formula:
C35H44N4O6S

M.W.:
648.83

Type:
---

AlogP:
5.02

Polar Surface Area:
110.18

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5290396

Name:
1-(3-fluorophenyl)-3-(furan-2-ylmethyl)thiourea

Mol. Formula:
C12H11FN2OS

M.W.:
250.30

Type:
---

AlogP:
2.91

Polar Surface Area:
37.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA5288911

Name:
5-(3,3-dimethylbut-1-yn-1-yl)-3-((trans)-4-methyl-N-((R)-1-methyl-2-oxopipeShow More⌵

Mol. Formula:
C25H34N2O4S

M.W.:
458.62

Type:
---

AlogP:
4.62

Polar Surface Area:
77.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5287462

Name:
5-(3,3-dimethylbut-1-yn-1-yl)-3-((trans)-4-methyl-N-((S)-1-methyl-2-oxopipeShow More⌵

Mol. Formula:
C25H34N2O4S

M.W.:
458.62

Type:
---

AlogP:
4.62

Polar Surface Area:
77.92

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5287176

Name:
(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl 2-naphthoate

Mol. Formula:
C17H12O5

M.W.:
296.28

Type:
---

AlogP:
2.86

Polar Surface Area:
76.74

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS