Molecular Properties | |
SMILES: | CC(C)(O)C1COc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 396.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.45 |
cLogP: | 4.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
ADA-UCB-dc2b944c-14
0.718
ADA-UCB-dc2b944c-13
0.718
MAT-POS-8a69d52e-5
0.718
MAT-POS-8a69d52e-7
0.718
EDJ-MED-e4b030d8-11
0.718
MAT-POS-8a69d52e-4
0.718
BRU-THA-01b12488-1
0.718
MAT-POS-8a69d52e-6
0.718
MAK-UNK-8be7dca9-3
0.713
EDJ-MED-e4b030d8-6
0.689
ALF-EVA-5b152d2f-6
0.656
DAR-DIA-0d514e7d-34
0.651
DAR-DIA-0d514e7d-35
0.651
EDJ-MED-12c115cc-1
0.628
EDJ-MED-12c115cc-2
0.628
MAT-POS-bbbbc21a-2
0.628
MAT-POS-f7918075-2
0.628
DAR-DIA-0d514e7d-33
0.598
DAR-DIA-0d514e7d-3
0.587
ADA-UCB-dc2b944c-15
0.587
MAT-POS-2e8b2191-2
0.570
ADA-UCB-dc2b944c-16
0.570
MAT-POS-b3e365b9-2
0.565
MAT-POS-f7918075-1
0.565
VLA-UCB-1dbca3b4-15
0.565
MAT-POS-b3e365b9-1
0.565
VLA-UCB-1dbca3b4-16
0.559
BEN-BAS-5c03e89e-2
0.558
PET-UNK-c0891748-6
0.553
PET-UNK-c0891748-12
0.553
DAR-DIA-0d514e7d-36
0.548
ALF-EVA-5b152d2f-1
0.547
DAR-DIA-0d514e7d-11
0.542
DAR-DIA-0d514e7d-8
0.542
MAT-POS-2e8b2191-3
0.537
RAL-THA-c9f97604-1
0.536
MAT-POS-8e4737f4-2
0.532
EDJ-MED-e4b030d8-12
0.532
EDJ-MED-e4b030d8-3
0.531
ALP-POS-d3acb8cc-3
0.531
EDJ-MED-e4b030d8-2
0.531
ALP-POS-d3acb8cc-4
0.531
ALP-POS-d3acb8cc-1
0.531
MAT-POS-8a69d52e-1
0.531
MAT-POS-8a69d52e-2
0.531
ALP-POS-d3acb8cc-2
0.531
MAT-POS-8a69d52e-3
0.531
RAL-THA-c9f97604-2
0.531
MAR-UCB-6ab2ec87-2
0.527
PET-UNK-c0891748-10
0.521
ROB-UNI-8bf7c232-1
0.521
PET-UNK-c0891748-4
0.521
DAR-DIA-0d514e7d-19
0.520
MAK-UNK-8be7dca9-10
0.510
MAT-POS-777f5926-1
0.505
MAT-POS-22e8b45a-4
0.505
DAR-DIA-0d514e7d-28
0.505
DAR-DIA-0d514e7d-29
0.505
LUO-POS-868e8996-14
0.500
MAT-POS-66a736cf-1
0.500
LUO-POS-868e8996-13
0.500
MIC-UNK-91acba05-3
0.500
DAR-DIA-0d514e7d-7
0.500
BEN-DND-f2e727cd-4
0.500
ALP-UNI-c3ef0aba-2
0.500
DAR-DIA-0d514e7d-1
0.495
DAR-DIA-0d514e7d-2
0.495
BEN-BAS-c2bc0d80-1
0.495
DAR-DIA-0d514e7d-18
0.490
DAR-DIA-0d514e7d-17
0.490
DAR-DIA-0d514e7d-9
0.490
RAL-THA-4aa06b95-4
0.490
DAR-DIA-0f2f46c9-12
0.490
BEN-BAS-c2bc0d80-2
0.490
ROB-UNI-322e8f70-1
0.490
ALF-EVA-ced740bd-4
0.489
DAR-DIA-0d514e7d-15
0.486
DAR-DIA-0d514e7d-6
0.485
PET-UNK-d61f3ea6-2
0.485
MAT-POS-4223bc15-27
0.485
EDG-MED-971238d3-11
0.485
MAT-POS-3ccb8ef6-1
0.485
MAT-POS-d8472c4f-5
0.485
MAR-UCB-6ab2ec87-6
0.485
BEN-DND-f2e727cd-5
0.485
RAL-THA-05e671eb-3
0.485
VLA-UNK-f49ebb87-1
0.485
MAT-POS-3ccb8ef6-2
0.485
DAR-DIA-0d514e7d-16
0.481
DAR-DIA-0d514e7d-24
0.481
MIC-UNK-89b52b17-1
0.480
ALP-POS-d054b76b-2
0.480
EDJ-MED-a6bd50ad-1
0.480
MAR-UCB-6ab2ec87-7
0.480
MAT-POS-8e4737f4-1
0.480
DAR-DIA-6a508060-10
0.480
BEN-DND-a7517465-4
0.480
EDJ-MED-e4b030d8-13
0.480
MIC-UNK-45817b9b-1
0.480
MAT-POS-43c25e9b-2
0.480