Molecular Properties | |
SMILES: | O=C1COc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 352.06 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 68.29 |
cLogP: | 3.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
beta-keto/anhydride
Ketones
Ketone
Dye 11
DAR-DIA-70d163b2-3
0.616
MAT-POS-f7918075-2
0.612
EDJ-MED-12c115cc-1
0.612
EDJ-MED-12c115cc-2
0.612
MAT-POS-bbbbc21a-2
0.612
EDJ-MED-e4b030d8-11
0.589
ADA-UCB-dc2b944c-13
0.589
MAT-POS-8a69d52e-6
0.589
BRU-THA-01b12488-1
0.589
MAT-POS-8a69d52e-4
0.589
ADA-UCB-dc2b944c-14
0.589
MAT-POS-8a69d52e-5
0.589
MAT-POS-8a69d52e-7
0.589
MAT-POS-f7918075-1
0.584
VLA-UCB-1dbca3b4-15
0.584
MAT-POS-b3e365b9-1
0.584
MAT-POS-b3e365b9-2
0.584
DAR-DIA-0d514e7d-34
0.580
DAR-DIA-0d514e7d-35
0.580
PET-UNK-c0891748-6
0.571
PET-UNK-c0891748-12
0.571
MAT-POS-2e8b2191-3
0.571
ADA-UCB-dc2b944c-15
0.571
DAR-DIA-0d514e7d-3
0.571
ALF-EVA-5b152d2f-1
0.565
BEN-BAS-5c03e89e-1
0.559
MAT-POS-2e8b2191-2
0.554
PET-UNK-c0891748-4
0.554
PET-UNK-c0891748-10
0.554
ADA-UCB-dc2b944c-16
0.554
MAK-UNK-8be7dca9-3
0.553
ALF-EVA-5b152d2f-6
0.553
DAR-DIA-0d514e7d-36
0.549
EDJ-MED-e4b030d8-6
0.536
BEN-DND-f2e727cd-4
0.533
ALP-UNI-c3ef0aba-2
0.533
DAR-DIA-70d163b2-2
0.533
MAT-POS-fb82b63d-1
0.533
DAR-DIA-0d514e7d-33
0.532
EDJ-MED-e4b030d8-3
0.532
ALP-POS-d3acb8cc-2
0.532
ALP-POS-d3acb8cc-4
0.532
ALP-POS-d3acb8cc-1
0.532
MAT-POS-8a69d52e-1
0.532
MAT-POS-8a69d52e-3
0.532
EDJ-MED-e4b030d8-2
0.532
MAT-POS-8a69d52e-2
0.532
ALP-POS-d3acb8cc-3
0.532
MAK-UNK-8be7dca9-10
0.526
VLA-UNK-f49ebb87-1
0.516
MIC-UNK-91acba05-4
0.516
MAT-POS-8e4737f4-2
0.516
EDJ-MED-e4b030d8-12
0.516
ALP-POS-477dc5b7-1
0.516
MAR-UCB-6ab2ec87-1
0.511
MAT-POS-22e8b45a-1
0.511
MAT-POS-865c3497-1
0.511
ROB-UNI-322e8f70-3
0.511
MIC-UNK-91acba05-1
0.511
MAT-POS-865c3497-2
0.511
MAT-POS-af1eef35-3
0.505
ALP-POS-a577c8a2-1
0.505
EDJ-MED-e18764cb-2
0.505
BEN-DND-d6f8d3c6-1
0.505
BEN-DND-f2e727cd-5
0.500
RAL-THA-05e671eb-3
0.500
LUO-POS-868e8996-13
0.500
MAT-POS-3ccb8ef6-1
0.500
MAT-POS-3ccb8ef6-2
0.500
EDJ-MED-2791eece-12
0.500
MAT-POS-66a736cf-1
0.500
MAT-POS-d8472c4f-5
0.500
DAR-DIA-70d163b2-1
0.500
MIC-UNK-91acba05-3
0.500
LUO-POS-868e8996-14
0.500
EDJ-MED-036ae2e9-2
0.495
EDJ-MED-2791eece-2
0.495
EDJ-MED-b774e9fe-1
0.495
ALP-POS-477dc5b7-2
0.495
MIC-UNK-45817b9b-1
0.495
EDJ-MED-92e193ae-2
0.495
EDJ-MED-e4b030d8-1
0.495
EDJ-MED-a6bd50ad-1
0.495
MAT-POS-43c25e9b-2
0.495
MIC-UNK-91acba05-5
0.495
VLA-UCB-1dbca3b4-14
0.495
EDJ-MED-92e193ae-1
0.495
MAT-POS-43c25e9b-1
0.495
BEN-BAS-c2bc0d80-1
0.495
PET-UNK-022eab87-1
0.495
MAR-UCB-6ab2ec87-4
0.495
EDJ-MED-036ae2e9-1
0.490
RAL-THA-c9f97604-1
0.490
MAT-POS-777f5926-1
0.490
EDJ-MED-eb111c00-1
0.490
MAT-POS-fb82b63d-3
0.490
MAT-POS-22e8b45a-4
0.490
MIC-UNK-91acba05-2
0.490
BEN-BAS-c2bc0d80-2
0.489
ROB-UNI-322e8f70-1
0.489