7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dioneName:
7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dioneMol. Formula:
C14H15N3O2M.W.:
257.29Type:
UnknownAlogP:
0.62Polar Surface Area:
68.96HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
UnknownAlogP:
4.78Polar Surface Area:
66.43HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.12DETAILS
ALA4452842Name:
5-(8-oxo-8,9-dihydro-7H-purin-6-ylthio)pentanoic acidMol. Formula:
C10H12N4O3SM.W.:
268.30Type:
UnknownAlogP:
0.99Polar Surface Area:
111.73HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
2.72Polar Surface Area:
69.26HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.62DETAILS
Type:
Small moleculeAlogP:
5.07Polar Surface Area:
54.46HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS-
Type:
Small moleculeAlogP:
3.86Polar Surface Area:
61.80HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.47Polar Surface Area:
61.80HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
4.45Polar Surface Area:
41.57HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS - GT-0198
Name:
N-(1-methylpiperidin-4-yl)-4-((4-(trifluoromethyl)phenoxy)methyl)benzamideMol. Formula:
C21H23F3N2O2M.W.:
392.42Type:
Small moleculeAlogP:
4.11Polar Surface Area:
41.57HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA3325506
Name:
N-(1-ethylpiperidin-4-yl)-4-((4-(trifluoromethyl)phenoxy)methyl)benzamideMol. Formula:
C22H25F3N2O2M.W.:
406.45Type:
Small moleculeAlogP:
4.50Polar Surface Area:
41.57HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA3325505
Name:
N-(1-benzylpiperidin-4-yl)-4-((4-(trifluoromethyl)phenoxy)methyl)benzamideMol. Formula:
C27H27F3N2O2M.W.:
468.52Type:
Small moleculeAlogP:
5.68Polar Surface Area:
41.57HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA3325504
Name:
N-(1-butylpiperidin-4-yl)-4-((4-(trifluoromethyl)phenoxy)methyl)benzamideMol. Formula:
C24H29F3N2O2M.W.:
434.50Type:
Small moleculeAlogP:
5.28Polar Surface Area:
41.57HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
4.04Polar Surface Area:
44.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
4.57Polar Surface Area:
44.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
4.18Polar Surface Area:
44.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
4.18Polar Surface Area:
44.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
4.47Polar Surface Area:
44.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
3.82Polar Surface Area:
44.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
4.47Polar Surface Area:
44.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
4.18Polar Surface Area:
44.81HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS
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