Molecular Properties | |
SMILES: | CC1(C)Oc2ccc(Cl)cc2[C@H]1C(=O)Nc1cncc2ccccc12 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-3
0.671
ADA-UCB-dc2b944c-15
0.671
MAT-POS-2e8b2191-2
0.632
ADA-UCB-dc2b944c-16
0.632
MAT-POS-2e8b2191-3
0.596
DAR-DIA-0d514e7d-34
0.586
DAR-DIA-0d514e7d-35
0.586
MAT-POS-bbbbc21a-2
0.581
EDJ-MED-12c115cc-1
0.581
MAT-POS-f7918075-2
0.581
EDJ-MED-12c115cc-2
0.581
MAT-POS-8a69d52e-7
0.578
EDJ-MED-e4b030d8-11
0.578
MAT-POS-8a69d52e-4
0.578
MAT-POS-8a69d52e-5
0.578
ADA-UCB-dc2b944c-14
0.578
MAT-POS-8a69d52e-6
0.578
ADA-UCB-dc2b944c-13
0.578
BRU-THA-01b12488-1
0.578
ALF-EVA-5b152d2f-6
0.559
MAT-POS-f7918075-1
0.556
MAT-POS-b3e365b9-2
0.556
MAT-POS-b3e365b9-1
0.556
VLA-UCB-1dbca3b4-15
0.556
EDJ-MED-e4b030d8-3
0.554
ALP-POS-d3acb8cc-1
0.554
MAT-POS-8a69d52e-1
0.554
MAT-POS-8a69d52e-2
0.554
ALP-POS-d3acb8cc-2
0.554
ALP-POS-d3acb8cc-3
0.554
MAT-POS-8a69d52e-3
0.554
ALP-POS-d3acb8cc-4
0.554
EDJ-MED-e4b030d8-2
0.554
VLA-UCB-1dbca3b4-16
0.549
BEN-BAS-5c03e89e-1
0.548
PET-UNK-c0891748-4
0.543
PET-UNK-c0891748-6
0.543
PET-UNK-c0891748-12
0.543
PET-UNK-c0891748-10
0.543
LUO-POS-868e8996-14
0.538
MAT-POS-66a736cf-1
0.538
MIC-UNK-91acba05-3
0.538
LUO-POS-868e8996-13
0.538
DAR-DIA-0d514e7d-33
0.538
ALF-EVA-5b152d2f-1
0.538
MAT-POS-2e8b2191-4
0.538
DAR-DIA-6a508060-10
0.533
EDJ-MED-e4b030d8-13
0.533
BEN-DND-a7517465-4
0.533
MAT-POS-8e4737f4-1
0.533
MAK-UNK-8be7dca9-10
0.532
MAT-POS-2e8b2191-1
0.531
MAK-UNK-8be7dca9-3
0.526
EDJ-MED-e4b030d8-6
0.526
ALP-UNI-c3ef0aba-2
0.522
BEN-DND-f2e727cd-4
0.522
BEN-BAS-c2bc0d80-1
0.516
MAR-UCB-6ab2ec87-2
0.516
PET-UNK-022eab87-1
0.516
DAR-DIA-0d514e7d-30
0.516
BEN-BAS-c2bc0d80-2
0.511
ROB-UNI-322e8f70-1
0.511
PET-UNK-1b92fa34-1
0.511
MAT-POS-dd3ad2b5-4
0.510
MAT-POS-24589f88-3
0.510
MAT-POS-24589f88-2
0.510
MAT-POS-2e8b2191-7
0.510
ALP-POS-477dc5b7-1
0.505
MAT-POS-78e1d523-1
0.505
BEN-DND-f2e727cd-5
0.505
VLA-UNK-f49ebb87-1
0.505
MAT-POS-3ccb8ef6-1
0.505
MAT-POS-d8472c4f-5
0.505
MAR-UCB-6ab2ec87-6
0.505
MAT-POS-3ccb8ef6-2
0.505
MIC-UNK-91acba05-4
0.505
MAT-POS-dd3ad2b5-1
0.505
BEN-DND-f2e727cd-6
0.505
EDJ-MED-e4b030d8-1
0.500
ALP-POS-477dc5b7-2
0.500
MIC-UNK-91acba05-5
0.500
MAT-POS-43c25e9b-2
0.500
EDJ-MED-a6bd50ad-1
0.500
EDJ-MED-92e193ae-1
0.500
VLA-UCB-1dbca3b4-14
0.500
MIC-UNK-45817b9b-1
0.500
EDJ-MED-92e193ae-2
0.500
MAT-POS-43c25e9b-1
0.500
MAR-UCB-6ab2ec87-1
0.500
MAR-UCB-6ab2ec87-7
0.500
MAT-POS-4223bc15-18
0.500
MAT-UNK-35705829-1
0.500
VLA-UNK-61877630-1
0.495
RAL-THA-4aa06b95-4
0.495
MAT-POS-4223bc15-6
0.495
RAL-THA-6e4c80cf-1
0.495
PET-UNK-9b23ef84-2
0.495
MAT-POS-4223bc15-19
0.495
MAT-POS-dd3ad2b5-2
0.495
MAT-POS-777f5926-1
0.495