Molecular Properties | |
SMILES: | O=C1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2O1 |
MW: | 352.06 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 68.29 |
cLogP: | 3.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phenol ester
Carboxylic acid esters
Ester
PET-UNK-c0891748-6
1.000
EDJ-MED-12c115cc-1
0.663
EDJ-MED-12c115cc-2
0.663
MAT-POS-bbbbc21a-2
0.663
MAT-POS-f7918075-2
0.663
MAK-UNK-8be7dca9-10
0.640
MAT-POS-2e8b2191-3
0.636
PET-UNK-c0891748-10
0.636
PET-UNK-c0891748-4
0.636
MAT-POS-b3e365b9-1
0.632
MAT-POS-b3e365b9-2
0.632
VLA-UCB-1dbca3b4-15
0.632
MAT-POS-f7918075-1
0.632
MAT-POS-2e8b2191-2
0.618
ADA-UCB-dc2b944c-16
0.618
ALF-EVA-5b152d2f-1
0.611
MAT-POS-8a69d52e-1
0.611
ALP-POS-d3acb8cc-4
0.611
EDJ-MED-e4b030d8-2
0.611
EDJ-MED-e4b030d8-3
0.611
ALP-POS-d3acb8cc-1
0.611
MAT-POS-8a69d52e-3
0.611
MAT-POS-8a69d52e-2
0.611
ALP-POS-d3acb8cc-2
0.611
ALP-POS-d3acb8cc-3
0.611
MAT-POS-43c25e9b-1
0.589
EDJ-MED-a6bd50ad-1
0.589
MAT-POS-43c25e9b-2
0.589
MIC-UNK-45817b9b-1
0.589
MIC-UNK-45817b9b-2
0.576
DAR-DIA-0d514e7d-34
0.573
DAR-DIA-0d514e7d-35
0.573
VLA-UCB-1dbca3b4-16
0.571
MAT-POS-8a69d52e-4
0.565
EDJ-MED-e4b030d8-11
0.565
ADA-UCB-dc2b944c-13
0.565
ADA-UCB-dc2b944c-14
0.565
MAT-POS-8a69d52e-5
0.565
BRU-THA-01b12488-1
0.565
MAT-POS-8a69d52e-6
0.565
MAT-POS-8a69d52e-7
0.565
ALF-EVA-5b152d2f-6
0.564
LUO-POS-868e8996-13
0.560
MIC-UNK-91acba05-3
0.560
MAT-POS-66a736cf-1
0.560
LUO-POS-868e8996-14
0.560
BEN-BAS-c2bc0d80-1
0.556
MAT-POS-f39f51fd-1
0.554
BEN-BAS-5c03e89e-1
0.553
EDJ-MED-eb111c00-3
0.552
MIC-UNK-91acba05-2
0.548
EDJ-MED-eb111c00-1
0.548
MAK-UNK-8be7dca9-3
0.547
MAR-UCB-6ab2ec87-6
0.543
DAR-DIA-0d514e7d-36
0.543
ALP-UNI-c3ef0aba-2
0.543
BEN-DND-f2e727cd-4
0.543
ALP-POS-fe871b40-14
0.543
DAR-DIA-0d514e7d-33
0.543
MAR-UCB-6ab2ec87-1
0.538
PET-UNK-022eab87-1
0.538
MAT-POS-22e8b45a-1
0.538
ROB-UNI-322e8f70-3
0.538
MIC-UNK-91acba05-1
0.538
MAT-POS-865c3497-1
0.538
MAT-POS-865c3497-2
0.538
ALP-POS-a577c8a2-2
0.537
EDG-MED-5d232de5-5
0.532
PET-UNK-1b92fa34-1
0.532
DAR-DIA-0d514e7d-3
0.532
RAL-THA-8416115c-2
0.532
EDG-MED-5d232de5-6
0.532
VLA-UNK-9a7dc93f-3
0.532
MIC-UNK-91acba05-6
0.532
ADA-UCB-dc2b944c-15
0.532
MAT-POS-d8472c4f-5
0.527
MAT-POS-3ccb8ef6-1
0.527
MIC-UNK-91acba05-4
0.527
MAT-POS-8e4737f4-2
0.527
BEN-DND-f2e727cd-5
0.527
ALP-POS-477dc5b7-1
0.527
RAL-THA-05e671eb-3
0.527
MAT-POS-78e1d523-1
0.527
MAT-POS-3ccb8ef6-2
0.527
EDJ-MED-e4b030d8-12
0.527
MAT-POS-dd3ad2b5-1
0.526
BEN-DND-f2e727cd-6
0.526
ALP-POS-fe871b40-13
0.526
PET-UNK-f860268d-2
0.526
PET-UNK-f860268d-5
0.526
EDJ-MED-92e193ae-2
0.521
EDJ-MED-92e193ae-1
0.521
MIC-UNK-91acba05-5
0.521
MAR-UCB-6ab2ec87-7
0.521
ALP-POS-477dc5b7-2
0.521
EDG-MED-5d232de5-3
0.521
ALP-POS-966f8da6-2
0.521
EDG-MED-5d232de5-4
0.521
RAL-THA-c11c1343-1
0.521
PET-UNK-4d432d33-2
0.520