Molecular Properties | |
SMILES: | O=C(O)C1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2O1 |
MW: | 382.07 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 88.52 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
EDJ-MED-e4b030d8-2
0.729
MAT-POS-8a69d52e-2
0.729
ALP-POS-d3acb8cc-2
0.729
EDJ-MED-e4b030d8-3
0.729
ALP-POS-d3acb8cc-1
0.729
MAT-POS-8a69d52e-1
0.729
ALP-POS-d3acb8cc-3
0.729
MAT-POS-8a69d52e-3
0.729
ALP-POS-d3acb8cc-4
0.729
MAT-POS-bbbbc21a-2
0.647
EDJ-MED-12c115cc-1
0.647
MAT-POS-f7918075-2
0.647
EDJ-MED-12c115cc-2
0.647
PET-UNK-c0891748-12
0.640
PET-UNK-c0891748-6
0.640
MAT-POS-b3e365b9-2
0.618
VLA-UCB-1dbca3b4-15
0.618
MAT-POS-f7918075-1
0.618
MAT-POS-b3e365b9-1
0.618
PET-UNK-c0891748-10
0.604
MAT-POS-2e8b2191-2
0.604
PET-UNK-c0891748-4
0.604
MAT-POS-2e8b2191-3
0.604
ADA-UCB-dc2b944c-16
0.604
ALF-EVA-5b152d2f-1
0.598
DAR-DIA-0d514e7d-33
0.581
DAR-DIA-0d514e7d-34
0.578
DAR-DIA-0d514e7d-35
0.578
MAR-UCB-6ab2ec87-6
0.548
BEN-BAS-c2bc0d80-1
0.543
EDG-MED-5d232de5-5
0.537
RAL-THA-8416115c-2
0.537
MIC-UNK-91acba05-6
0.537
EDG-MED-5d232de5-6
0.537
RAL-THA-4aa06b95-4
0.535
LUO-POS-868e8996-13
0.532
LUO-POS-868e8996-14
0.532
MAT-POS-66a736cf-1
0.532
ALP-UNI-c3ef0aba-2
0.532
BEN-DND-f2e727cd-4
0.532
MIC-UNK-91acba05-3
0.532
DAR-DIA-0d514e7d-36
0.532
MIC-UNK-45817b9b-2
0.531
ALP-POS-d054b76b-1
0.531
MAR-UCB-6ab2ec87-1
0.527
PET-UNK-022eab87-1
0.527
MAT-POS-865c3497-1
0.526
MAT-POS-865c3497-2
0.526
MIC-UNK-91acba05-1
0.526
ROB-UNI-322e8f70-3
0.526
MAT-POS-22e8b45a-1
0.526
MAT-POS-43c25e9b-2
0.526
EDJ-MED-a6bd50ad-1
0.526
VLA-UCB-1dbca3b4-16
0.526
MIC-UNK-45817b9b-1
0.526
MAT-POS-43c25e9b-1
0.526
MAR-UCB-6ab2ec87-7
0.526
EDJ-MED-eb111c00-1
0.521
MAT-POS-8a69d52e-7
0.521
MAT-POS-8a69d52e-5
0.521
ADA-UCB-dc2b944c-14
0.521
MAT-POS-8a69d52e-6
0.521
DAR-DIA-0d514e7d-3
0.521
ADA-UCB-dc2b944c-15
0.521
EDJ-MED-e4b030d8-11
0.521
MAT-POS-8a69d52e-4
0.521
ADA-UCB-dc2b944c-13
0.521
BRU-THA-01b12488-1
0.521
MIC-UNK-91acba05-2
0.521
DAR-DIA-0f2f46c9-12
0.521
PET-UNK-1b92fa34-1
0.521
ALF-EVA-5b152d2f-6
0.520
RAL-THA-4aa06b95-6
0.520
MAT-POS-78e1d523-1
0.516
MIC-UNK-91acba05-4
0.516
ALP-POS-477dc5b7-1
0.516
RAL-THA-05e671eb-3
0.516
MAT-POS-3ccb8ef6-1
0.516
BEN-DND-f2e727cd-5
0.516
MAT-POS-d8472c4f-5
0.516
MAT-POS-3ccb8ef6-2
0.516
BEN-DND-f2e727cd-6
0.515
DAR-DIA-0f2f46c9-10
0.515
MAT-POS-dd3ad2b5-1
0.515
ALP-POS-477dc5b7-2
0.510
MIC-UNK-91acba05-5
0.510
EDJ-MED-92e193ae-1
0.510
EDJ-MED-92e193ae-2
0.510
RAL-THA-c11c1343-1
0.510
DAR-DIA-0f2f46c9-4
0.510
DAR-DIA-0f2f46c9-6
0.510
ALP-POS-966f8da6-2
0.510
EDG-MED-5d232de5-3
0.510
EDG-MED-5d232de5-4
0.510
BEN-BAS-5c03e89e-1
0.510
RAL-THA-4aa06b95-1
0.510
DAR-DIA-0f2f46c9-5
0.510
ALP-POS-a577c8a2-2
0.510
RAL-THA-8416115c-4
0.510
RAL-THA-8416115c-7
0.510