Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
ALA4797183Name:
N-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzamideMol. Formula:
C14H11N5OM.W.:
265.28Type:
UnknownAlogP:
2.12Polar Surface Area:
83.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA4791078Name:
3-(Pyridin-4-yl)-1-tosyl-1H-1,2,4-triazol-5-amineMol. Formula:
C14H13N5O2SM.W.:
315.36Type:
UnknownAlogP:
1.98Polar Surface Area:
100.63HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA4756713Name:
(5-Amino-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-yl)(cyclohexyl)-methanoneMol. Formula:
C14H17N5OM.W.:
271.32Type:
UnknownAlogP:
2.39Polar Surface Area:
83.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS
ALA4755409Name:
(5-Amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(phenyl)-methanoneMol. Formula:
C15H13N5OM.W.:
279.30Type:
UnknownAlogP:
2.80Polar Surface Area:
82.70HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS- ALA4748586
Name:
(5-Amino-3-(pyridin-3-ylamino)-1H-1,2,4-triazol-1-yl)(phenyl)-methanoneMol. Formula:
C14H12N6OM.W.:
280.29Type:
UnknownAlogP:
2.20Polar Surface Area:
95.59HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4746556
Name:
(5-Amino-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-yl)(phenyl)-methanoneMol. Formula:
C14H11N5OM.W.:
265.28Type:
UnknownAlogP:
2.12Polar Surface Area:
83.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
5.73Polar Surface Area:
97.31HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
2.31Polar Surface Area:
83.14HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
3.06Polar Surface Area:
70.25HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
122.83HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
122.83HBA:
7HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
4.53Polar Surface Area:
101.93HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
4.02Polar Surface Area:
81.70HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
102.23HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
74.16HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
3.52Polar Surface Area:
127.87HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
5.54Polar Surface Area:
106.62HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
6.05Polar Surface Area:
90.93HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
3.40Polar Surface Area:
114.04HBA:
7HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS
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