Compounds

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ALA4557343
Name:
4-(2-palmitamidobenzamido)benzoic acid
Mol. Formula:
C30H42N2O4
M.W.:
494.68
6 activity values
6 unique targets
Type:
Unknown
AlogP:
8.06
Polar Surface Area:
95.50
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4537508
Name:
4-(2-tetradecanamidobenzamido)benzoic acid
Mol. Formula:
C28H38N2O4
M.W.:
466.62
6 activity values
6 unique targets
Type:
Unknown
AlogP:
7.28
Polar Surface Area:
95.50
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4468955
Name:
3-(2-palmitamidobenzamido)benzoic acid
Mol. Formula:
C30H42N2O4
M.W.:
494.68
6 activity values
6 unique targets
Type:
Unknown
AlogP:
8.06
Polar Surface Area:
95.50
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA293403
Name:
(5S,6S)-5-Acetoxy-6-[(R)-4-chloro-2-hydroxy-2-((Z)-oct-2-enyl)-5-oxo-cyclopShow More⌵
Mol. Formula:
C25H35ClO7
M.W.:
483.00
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
106.97
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA61953
Name:
(5S,6S)-5,6-Diacetoxy-7-[(R)-4-chloro-2-hydroxy-2-((2Z,5E)-octa-2,5-dienyl)Show More⌵
Mol. Formula:
C25H33ClO8
M.W.:
496.98
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
116.20
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA291597
Name:
(5S,6R,7R)-5,6,7-Triacetoxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-((Z)-oct-2-enylShow More⌵
Mol. Formula:
C27H39ClO10
M.W.:
559.05
4 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
142.50
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA65090
Name:
(5S,6S)-5,6-Diacetoxy-7-[(R)-4-chloro-2-hydroxy-2-((Z)-oct-2-enyl)-5-oxo-cyShow More⌵
Mol. Formula:
C25H35ClO8
M.W.:
499.00
8 activity values
4 unique targets
Type:
Small molecule
AlogP:
4.08
Polar Surface Area:
116.20
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA304706
Name:
(5S,6S)-5,6-Diacetoxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-((Z)-oct-2-enyl)-5-oxShow More⌵
Mol. Formula:
C25H37ClO8
M.W.:
501.02
6 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
116.20
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE