Molecular Properties | |
SMILES: | O=C1CC(=O)C(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 364.06 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Ketones
Ketone
Dye 11
DAR-DIA-70d163b2-2
0.643
VLA-UCB-1dbca3b4-16
0.616
DAR-DIA-70d163b2-1
0.581
MAT-POS-22e8b45a-1
0.580
MAT-POS-865c3497-2
0.580
ROB-UNI-322e8f70-3
0.580
MIC-UNK-91acba05-1
0.580
MAT-POS-865c3497-1
0.580
MIC-UNK-91acba05-2
0.556
EDJ-MED-eb111c00-1
0.556
MAT-POS-777f5926-1
0.556
MAT-POS-22e8b45a-4
0.556
EDJ-MED-0047eae5-1
0.543
VLA-UNK-61877630-1
0.535
MIC-UNK-91acba05-4
0.533
ALP-POS-477dc5b7-1
0.533
PET-UNK-f860268d-2
0.532
PET-UNK-f860268d-5
0.532
MIC-UNK-482af05e-4
0.531
MAR-UCB-6ab2ec87-1
0.528
ALP-POS-477dc5b7-2
0.527
EDJ-MED-92e193ae-2
0.527
MIC-UNK-91acba05-5
0.527
EDJ-MED-92e193ae-1
0.527
PET-UNK-4d432d33-6
0.526
PET-UNK-4d432d33-2
0.526
EDJ-MED-eb111c00-3
0.526
MAT-POS-a54ce14d-2
0.526
MIC-UNK-482af05e-3
0.526
MAT-POS-acfe5bae-2
0.526
MAT-POS-a54ce14d-3
0.526
EDJ-MED-015fb6b4-2
0.526
EDJ-MED-12c115cc-2
0.523
MAT-POS-f7918075-2
0.523
MAT-POS-bbbbc21a-2
0.523
EDJ-MED-12c115cc-1
0.523
PET-UNK-4d432d33-5
0.521
PET-UNK-4d432d33-1
0.521
JOH-UNI-6b98e24c-2
0.520
EDJ-MED-c99b2211-2
0.520
VLA-UNK-61877630-2
0.520
RAL-THA-a9c31980-4
0.520
MAT-POS-66a736cf-1
0.516
LUO-POS-868e8996-14
0.516
MAT-POS-b3e365b9-1
0.516
MAT-POS-b3e365b9-2
0.516
MAT-POS-78e1d523-1
0.516
VLA-UCB-1dbca3b4-15
0.516
MAT-POS-f7918075-1
0.516
BEN-DND-f2e727cd-4
0.516
MAT-POS-d8472c4f-5
0.516
BEN-DND-f2e727cd-5
0.516
MIC-UNK-91acba05-3
0.516
ALP-UNI-c3ef0aba-2
0.516
MAT-POS-3ccb8ef6-1
0.516
MAT-POS-3ccb8ef6-2
0.516
LUO-POS-868e8996-13
0.516
DAR-DIA-0f2f46c9-10
0.516
DAR-DIA-4987d2cd-4
0.515
EDJ-MED-43f8f7d6-8
0.515
RAL-THA-5e0a6f1a-1
0.515
RAL-THA-8f106089-2
0.515
RAL-THA-8f106089-1
0.515
EDJ-MED-12c4873b-8
0.515
MAT-POS-e2d70d27-1
0.515
BEN-BAS-c2bc0d80-1
0.511
PET-UNK-022eab87-1
0.511
MAT-POS-43c25e9b-1
0.511
EDJ-MED-a6bd50ad-1
0.511
MIC-UNK-45817b9b-1
0.511
MAT-POS-43c25e9b-2
0.511
DAR-DIA-0f2f46c9-4
0.511
DAR-DIA-0f2f46c9-6
0.511
DAR-DIA-0f2f46c9-5
0.511
LUO-POS-3f66b338-1
0.510
EDJ-MED-43f8f7d6-1
0.510
EDJ-MED-eb111c00-4
0.510
EDJ-MED-12c4873b-4
0.510
MAT-POS-acfe5bae-3
0.510
ROB-UNI-322e8f70-1
0.505
MAT-POS-2e8b2191-3
0.505
EDJ-MED-e4b030d8-11
0.505
MAT-POS-8a69d52e-4
0.505
ADA-UCB-dc2b944c-13
0.505
MAT-POS-8a69d52e-6
0.505
MAT-POS-8a69d52e-7
0.505
DAR-DIA-0f2f46c9-12
0.505
EDG-MED-5d232de5-6
0.505
MAT-POS-8a69d52e-5
0.505
BRU-THA-01b12488-1
0.505
MIC-UNK-91acba05-6
0.505
ADA-UCB-dc2b944c-14
0.505
EDG-MED-5d232de5-5
0.505
RAL-THA-8416115c-2
0.505
BEN-DND-d6f8d3c6-1
0.505
MAT-POS-af1eef35-3
0.505
ALP-POS-a577c8a2-1
0.505
EDJ-MED-e18764cb-2
0.505
PET-UNK-c0891748-4
0.505
PET-UNK-c0891748-6
0.505