Type:
---AlogP:
5.96Polar Surface Area:
111.98HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
---AlogP:
7.06Polar Surface Area:
101.08HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
---AlogP:
9.00Polar Surface Area:
94.92HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
---AlogP:
5.12Polar Surface Area:
110.30HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.17DETAILS
Type:
UnknownAlogP:
4.83Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS-
Type:
UnknownAlogP:
8.49Polar Surface Area:
98.75HBA:
9HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA4294908
Name:
8-Benzyl-4-(4-methylpiperazin-1-yl)-2-(propylthio)pteridin-7(8H)-oneMol. Formula:
C21H26N6OSM.W.:
410.55Type:
Small moleculeAlogP:
2.49Polar Surface Area:
67.15HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
2.55Polar Surface Area:
67.15HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
129.96HBA:
8HBD:
3#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA4291508
Name:
8-Benzyl-4-(cyclopropylamino)-2-(propylthio)pteridin-7(8H)-oneMol. Formula:
C19H21N5OSM.W.:
367.48Type:
Small moleculeAlogP:
3.31Polar Surface Area:
72.70HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4291082
Name:
8-Benzyl-4-(benzylamino)-2-(propylthio)pteridin-7(8H)-oneMol. Formula:
C23H23N5OSM.W.:
417.54Type:
Small moleculeAlogP:
4.35Polar Surface Area:
72.70HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4289285
Name:
8-Benzyl-4-(4-methylpiperazin-1-yl)pteridin-7(8H)-oneMol. Formula:
C18H20N6OM.W.:
336.40Type:
Small moleculeAlogP:
0.99Polar Surface Area:
67.15HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4288415
Name:
8-Benzyl-4-((2-methoxyphenyl)amino)-2-(propylthio)pteridin-7(8H)-oneMol. Formula:
C23H23N5O2SM.W.:
433.54Type:
Small moleculeAlogP:
4.49Polar Surface Area:
81.93HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA4287660
Name:
8-Benzyl-4-morpholino-2-(propylthio)pteridin-7(8H)-oneMol. Formula:
C20H23N5O2SM.W.:
397.50Type:
Small moleculeAlogP:
2.57Polar Surface Area:
73.14HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4285876
Name:
8-Isobutyl-4-(4-methylpiperazin-1-yl)-2-(propylthio)pteridin-7(8H)-oneMol. Formula:
C18H28N6OSM.W.:
376.53Type:
Small moleculeAlogP:
2.10Polar Surface Area:
67.15HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.92Polar Surface Area:
139.19HBA:
9HBD:
3#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA4284273
Name:
8-Benzyl-4-(4-benzylpiperazin-1-yl)-2-(propylthio)pteridin-7(8H)-oneMol. Formula:
C27H30N6OSM.W.:
486.65Type:
Small moleculeAlogP:
4.06Polar Surface Area:
67.15HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4283234
Name:
8-Benzyl-4-((cyclohexylmethyl)amino)-2-(propylthio)pteridin-7(8H)-oneMol. Formula:
C23H29N5OSM.W.:
423.59Type:
Small moleculeAlogP:
4.73Polar Surface Area:
72.70HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
2.08Polar Surface Area:
80.29HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4281414
Name:
8-Benzyl-2-methyl-4-(4-methylpiperazin-1-yl)pteridin-7(8H)-oneMol. Formula:
C19H22N6OM.W.:
350.43Type:
Small moleculeAlogP:
1.30Polar Surface Area:
67.15HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS
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