Type:
Small moleculeAlogP:
1.97Polar Surface Area:
94.83HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
Small moleculeAlogP:
1.97Polar Surface Area:
94.83HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
1.88Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
1.66Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
80.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS- 4′-Nitro-p-toluenesulfonanilide
Name:
4-methyl-N-(4-nitrophenyl)benzenesulfonamideMol. Formula:
C13H12N2O4SM.W.:
292.32Type:
Small moleculeAlogP:
2.70Polar Surface Area:
89.31HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2271640
Name:
2,3-dihydroxypropyl 8,11,12-trihydroxyoctadec-9-enoateMol. Formula:
C21H40O7M.W.:
404.54Type:
Small moleculeAlogP:
1.83Polar Surface Area:
127.45HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
3.02Polar Surface Area:
97.99HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
4.58Polar Surface Area:
50.69HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
0.54Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
0.63Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
3.29Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
2.99Polar Surface Area:
68.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.78DETAILS - Pyrimorph
Name:
(E)-3-[(2-chloropyridine-4-yl)-3-(4-tert-butylphenyl)acryloyl]morpholineMol. Formula:
C22H25ClN2O2M.W.:
384.91Type:
Small moleculeAlogP:
4.32Polar Surface Area:
42.43HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
4.41Polar Surface Area:
63.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA448235
Name:
4-(2-aminophenyl)-4-oxo-2-methylthiobutanoic acidMol. Formula:
C11H13NO3SM.W.:
239.30Type:
Small moleculeAlogP:
1.66Polar Surface Area:
80.39HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA21034
Name:
(4S,5S,6R)-4,5-Dihydroxy-2-hydroxymethyl-6-methyl-cyclohex-2-enoneMol. Formula:
C8H12O4M.W.:
172.18Type:
Small moleculeAlogP:
-1.15Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.47DETAILS
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