ALA3104706Name:
(2E,5E)-2,5-bis(4-(azidomethyl)benzylidene)cyclopentanoneMol. Formula:
C21H18N6OM.W.:
370.42Type:
Small moleculeAlogP:
6.14Polar Surface Area:
114.59HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
Small moleculeAlogP:
7.13Polar Surface Area:
78.49HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.18DETAILS
ALA3104703Name:
(2E,6E)-2,6-bis((1H-pyrrol-2-yl)methylene)cyclohexanoneMol. Formula:
C16H16N2OM.W.:
252.32Type:
Small moleculeAlogP:
3.56Polar Surface Area:
48.65HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA3104702Name:
(2E,5E)-2,5-bis((1H-pyrrol-2-yl)methylene)cyclopentanoneMol. Formula:
C15H14N2OM.W.:
238.29Type:
Small moleculeAlogP:
3.17Polar Surface Area:
48.65HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA3104700Name:
(2E,5E)-2,5-bis(isoquinolin-5-ylmethylene)cyclopentanoneMol. Formula:
C25H18N2OM.W.:
362.43Type:
Small moleculeAlogP:
5.61Polar Surface Area:
42.85HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS-
Type:
Small moleculeAlogP:
5.61Polar Surface Area:
42.85HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
5.13Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - (S)-2-(4-Nitrobenzamido)pentanedioic acid
Name:
N-p-Nitrobenzoyl-L-glutamic acidMol. Formula:
C12H12N2O7M.W.:
296.24Type:
Small moleculeAlogP:
0.64Polar Surface Area:
146.84HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
1.46Polar Surface Area:
75.40HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
5.14Polar Surface Area:
146.10HBA:
8HBD:
2#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA1094857
Name:
(2R(S),7R(S))-7-Hydroxybicyclo[2.2.1]heptan-2-yl nitrateMol. Formula:
C7H11NO4M.W.:
173.17Type:
Small moleculeAlogP:
0.35Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA1094856
Name:
(2S(R),7R(S))-7-Hydroxybicyclo[2.2.1]heptan-2-yl nitrateMol. Formula:
C7H11NO4M.W.:
173.17Type:
Small moleculeAlogP:
0.35Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA1096674
Name:
(1S(R),2S(R),5R(S),6R(S))-5-Bromo-9-oxabicyclo[4.2.1]nonan-2-yl nitrateMol. Formula:
C8H12BrNO4M.W.:
266.09Type:
Small moleculeAlogP:
1.67Polar Surface Area:
61.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA556671
Name:
(1R(S),2R(S),3S(R),4S(R))-2,3-Dihydroxycyclo-hexane-1,4-diyl dinitrateMol. Formula:
C6H10N2O8M.W.:
238.15Type:
Small moleculeAlogP:
-1.34Polar Surface Area:
145.20HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
1.28Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
0.93Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA556791
Name:
9(R(S))-Hydroxy-1,2,3,4-tetrahydro-1,4-methano-naphthalen-2(R(S)-yl nitrateMol. Formula:
C11H11NO4M.W.:
221.21Type:
Small moleculeAlogP:
1.21Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA561220
Name:
(1S(R),3S(R),4S(R),6S(R))-4,6-Dihydroxycyclo-hexane-1,3-diyl dinitrateMol. Formula:
C6H10N2O8M.W.:
238.15Type:
Small moleculeAlogP:
-1.34Polar Surface Area:
145.20HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
0.50Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA555721
Name:
trans-(1S(R),6S(R))-6-Hydroxycyclohex-3-enyl nitrateMol. Formula:
C6H9NO4M.W.:
159.14Type:
Small moleculeAlogP:
0.27Polar Surface Area:
72.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS
The page will load shortly, Thanks for your patience!
Select all
