Type:
Small moleculeAlogP:
3.16Polar Surface Area:
77.72HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.24DETAILS
ALA3133145Name:
Piperazino3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-ylmethanoneMol. Formula:
C19H17F3N4OM.W.:
374.37Type:
Small moleculeAlogP:
3.07Polar Surface Area:
49.64HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.75DETAILS
ALA3133144Name:
3-[4-(Trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-1-carboxylic acidMol. Formula:
C15H9F3N2O2M.W.:
306.24Type:
Small moleculeAlogP:
3.72Polar Surface Area:
54.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
6.86Polar Surface Area:
55.15HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS
ALA3114449Name:
3,4-bis(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-2H-chromen-2-oneMol. Formula:
C35H42N4O4M.W.:
582.75Type:
Small moleculeAlogP:
4.38Polar Surface Area:
61.63HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS- ALA3114448
Name:
3,4-bis(4-(2-(diethylamino)ethoxy)phenyl)-2H-chromen-2-oneMol. Formula:
C33H40N2O4M.W.:
528.69Type:
Small moleculeAlogP:
6.57Polar Surface Area:
55.15HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA3114445
Name:
3,4-bis(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2H-chromen-2-oneMol. Formula:
C35H40N2O4M.W.:
552.72Type:
Small moleculeAlogP:
6.86Polar Surface Area:
55.15HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
4.38Polar Surface Area:
61.63HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
6.57Polar Surface Area:
55.15HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
Small moleculeAlogP:
4.28Polar Surface Area:
54.34HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.48Polar Surface Area:
58.88HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.97Polar Surface Area:
25.24HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
22.00HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.09Polar Surface Area:
32.86HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
5.00Polar Surface Area:
29.10HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
-1.96Polar Surface Area:
144.46HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
7.65Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA3104961
Name:
3-(3,5-di-tert-butyl-4-fluorophenyl)propanoic acidMol. Formula:
C17H25FO2M.W.:
280.38Type:
Small moleculeAlogP:
4.44Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA3104749
Name:
N-(1,4-Dimethyl-9H-carbazol-3-yl)-N'-propylguanidineMol. Formula:
C18H22N4M.W.:
294.40Type:
Small moleculeAlogP:
3.88Polar Surface Area:
66.20HBA:
1HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3104748
Name:
N-(1,4-Dimethyl-9H-carbazol-3-yl)-N'-n-butylguanidineMol. Formula:
C19H24N4M.W.:
308.43Type:
Small moleculeAlogP:
4.27Polar Surface Area:
66.20HBA:
1HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS
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