Type:
---AlogP:
1.41Polar Surface Area:
115.79HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
---AlogP:
1.92Polar Surface Area:
115.79HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
61.94HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
61.94HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
3.40Polar Surface Area:
85.86HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.13DETAILS-
Type:
Small moleculeAlogP:
3.01Polar Surface Area:
85.86HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA2440717
Name:
3-(4-(2-(diethylamino)ethoxy)-3-(3-pentylureido)phenyl)-N-hydroxyacrylamideMol. Formula:
C21H34N4O4M.W.:
406.53Type:
Small moleculeAlogP:
3.24Polar Surface Area:
102.93HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
3.95Polar Surface Area:
93.70HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
3.56Polar Surface Area:
93.70HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA2298115
Name:
6-(2,4,6-Trichlorophenyl)-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dioneMol. Formula:
C12H4Cl3N3O2M.W.:
328.54Type:
Small moleculeAlogP:
3.24Polar Surface Area:
63.16HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA1946507
Name:
(E)-4-(2-(3-(2-hydroxypropan-2-yl)-1,2-dimethylcyclopentyl)vinyl)phenolMol. Formula:
C18H26O2M.W.:
274.40Type:
Small moleculeAlogP:
4.23Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
Small moleculeAlogP:
6.17Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA1946505
Name:
(S,E)-4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl palmitateMol. Formula:
C34H54O2M.W.:
494.80Type:
Small moleculeAlogP:
11.03Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.07DETAILS - ALA1946504
Name:
(S,E)-4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl decanoateMol. Formula:
C28H42O2M.W.:
410.64Type:
Small moleculeAlogP:
8.68Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA1946503
Name:
(S,E)-4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl octanoateMol. Formula:
C26H38O2M.W.:
382.59Type:
Small moleculeAlogP:
7.90Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA1946502
Name:
(S,E)-4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl hexanoateMol. Formula:
C24H34O2M.W.:
354.53Type:
Small moleculeAlogP:
7.12Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA1946501
Name:
(S,E)-4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl pentanoateMol. Formula:
C23H32O2M.W.:
340.51Type:
Small moleculeAlogP:
6.73Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA1946500
Name:
(S,E)-4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl butyrateMol. Formula:
C22H30O2M.W.:
326.48Type:
Small moleculeAlogP:
6.34Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA1946499
Name:
(S,E)-4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenyl propionateMol. Formula:
C21H28O2M.W.:
312.45Type:
Small moleculeAlogP:
5.95Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
5.76Polar Surface Area:
93.01HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS
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