Type:
Small moleculeAlogP:
2.37Polar Surface Area:
144.16HBA:
6HBD:
5#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS
ALA3113611Name:
(R)-methyl 1-(2-(1H-indol-3-yl)-2-oxoacetyl)pyrrolidine-2-carboxylateMol. Formula:
C16H16N2O4M.W.:
300.31Type:
Small moleculeAlogP:
1.51Polar Surface Area:
79.47HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA3113610Name:
(R)-dimethyl 2-(2-(1H-indol-3-yl)-2-oxoacetamido)pentanedioateMol. Formula:
C17H18N2O6M.W.:
346.34Type:
Small moleculeAlogP:
0.96Polar Surface Area:
114.56HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
Small moleculeAlogP:
0.97Polar Surface Area:
116.94HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA3113608Name:
(R)-methyl 2-(2-(1H-indol-3-yl)-2-oxoacetamido)-3-(1H-indol-3-yl)propanoateMol. Formula:
C22H19N3O4M.W.:
389.41Type:
Small moleculeAlogP:
2.73Polar Surface Area:
104.05HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS- ALA3113607
Name:
[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-acetic acid methyl esterMol. Formula:
C13H12N2O4M.W.:
260.25Type:
Small moleculeAlogP:
0.64Polar Surface Area:
88.26HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.67Polar Surface Area:
111.10HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA2111799
Name:
(1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-ethyl-indolizin-8-yloxy)-acetic acidMol. Formula:
C27H24N2O5M.W.:
456.50Type:
Small moleculeAlogP:
3.89Polar Surface Area:
111.10HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
4.28Polar Surface Area:
111.10HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
3.46Polar Surface Area:
105.20HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
5.81Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
6.62Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
5.42Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
5.11Polar Surface Area:
21.76HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA564868
Name:
(1S,2E,4S, 6R,7E,11E)-2,7,11-cembratriene-4,6-diolMol. Formula:
C20H34O2M.W.:
306.49Type:
Small moleculeAlogP:
4.78Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA564595
Name:
(1S,2E,4R,6R, 7E,11E)-2,7,11-cembratriene-4,6-diolMol. Formula:
C20H34O2M.W.:
306.49Type:
Small moleculeAlogP:
4.78Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
5.73Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
4.40Polar Surface Area:
90.87HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
4.53Polar Surface Area:
111.10HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
4.08Polar Surface Area:
74.32HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS
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