Type:
UnknownAlogP:
3.50Polar Surface Area:
105.68HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
UnknownAlogP:
3.08Polar Surface Area:
110.41HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA4544497Name:
(S)-2-(2-acetamido-3-(1H-indol-3-yl)acrylamido)-3-(1H-indol-3-yl)propanoateMol. Formula:
C24H22N4O4M.W.:
430.46Type:
UnknownAlogP:
2.94Polar Surface Area:
127.08HBA:
3HBD:
5#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS
Type:
UnknownAlogP:
3.08Polar Surface Area:
110.41HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
UnknownAlogP:
2.68Polar Surface Area:
90.98HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS-
Type:
UnknownAlogP:
3.44Polar Surface Area:
73.91HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
4.40Polar Surface Area:
118.12HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
UnknownAlogP:
5.25Polar Surface Area:
85.25HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
UnknownAlogP:
3.08Polar Surface Area:
110.41HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
UnknownAlogP:
2.01Polar Surface Area:
141.43HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3828080
Name:
2-(1,2-dihydroacenaphthylene-5-carbonyl)benzoic acidMol. Formula:
C20H14O3M.W.:
302.33Type:
Small moleculeAlogP:
3.87Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - 2′,4′-Dihydroxy-2-benzoylbenzoic Acid
Name:
2-(2,4-dihydroxybenzoyl)benzoic acidMol. Formula:
C14H10O5M.W.:
258.23Type:
Small moleculeAlogP:
2.03Polar Surface Area:
94.83HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
3.63Polar Surface Area:
74.60HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA3827923
Name:
2-(3-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acidMol. Formula:
C19H18O3M.W.:
294.35Type:
Small moleculeAlogP:
3.80Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA3827309
Name:
2-(9H-fluoren-2-ylcarbamoyl)cyclohexanecarboxylic acidMol. Formula:
C21H21NO3M.W.:
335.40Type:
Small moleculeAlogP:
4.09Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.80Polar Surface Area:
55.12HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.85Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA3828402
Name:
2-(3-bromo-9-oxo-9H-fluoren-2-ylcarbamoyl)cyclohexanecarboxylic acidMol. Formula:
C21H18BrNO4M.W.:
428.28Type:
Small moleculeAlogP:
4.49Polar Surface Area:
83.47HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3828630
Name:
4-(7-nitro-9H-fluoren-2-ylamino)-4-oxobut-2-enoic acidMol. Formula:
C17H12N2O5M.W.:
324.29Type:
Small moleculeAlogP:
2.75Polar Surface Area:
109.54HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA3828171
Name:
6-(9H-fluoren-2-yl)-3,9-dinitro-5H-dibenzo[c,e]azepine-5,7(6H)-dioneMol. Formula:
C27H15N3O6M.W.:
477.43Type:
Small moleculeAlogP:
4.89Polar Surface Area:
125.35HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.26DETAILS
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