Molecular Properties | |
SMILES: | CC(C)(O)C1C=Nc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 393.12 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 74.58 |
cLogP: | 4.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
BEN-BAS-c2bc0d80-1
0.560
BEN-BAS-5c03e89e-1
0.558
BEN-BAS-c2bc0d80-2
0.554
MAT-POS-8a69d52e-4
0.537
MAT-POS-8a69d52e-5
0.537
ADA-UCB-dc2b944c-13
0.537
EDJ-MED-e4b030d8-11
0.537
ADA-UCB-dc2b944c-14
0.537
BRU-THA-01b12488-1
0.537
MAT-POS-8a69d52e-6
0.537
MAT-POS-8a69d52e-7
0.537
MAR-UCB-6ab2ec87-2
0.527
DAR-DIA-0d514e7d-34
0.527
DAR-DIA-0d514e7d-35
0.527
PET-UNK-022eab87-1
0.511
ROB-UNI-322e8f70-3
0.510
MAT-POS-865c3497-2
0.510
MIC-UNK-91acba05-1
0.510
MAT-POS-22e8b45a-1
0.510
MAT-POS-865c3497-1
0.510
MAT-POS-bbbbc21a-2
0.505
EDJ-MED-12c115cc-1
0.505
EDJ-MED-12c115cc-2
0.505
MAT-POS-f7918075-2
0.505
MAT-POS-777f5926-1
0.505
MAT-POS-2e8b2191-2
0.505
MAT-POS-22e8b45a-4
0.505
ADA-UCB-dc2b944c-16
0.505
ALF-EVA-5b152d2f-6
0.505
MAK-UNK-8be7dca9-3
0.505
DAR-DIA-0d514e7d-19
0.505
MAR-UCB-6ab2ec87-1
0.495
EDJ-MED-e4b030d8-6
0.490
MAT-POS-af1eef35-3
0.490
BEN-DND-d6f8d3c6-1
0.490
EDJ-MED-e18764cb-2
0.490
ALP-POS-a577c8a2-1
0.490
EDJ-MED-eb111c00-1
0.490
MAT-POS-2e8b2191-3
0.490
MIC-UNK-91acba05-2
0.490
ROB-UNI-322e8f70-1
0.490
MAT-POS-4223bc15-27
0.485
RAL-THA-c9f97604-2
0.485
EDJ-MED-e4b030d8-2
0.485
EDJ-MED-e4b030d8-3
0.485
ALP-POS-d3acb8cc-4
0.485
ALP-POS-d3acb8cc-1
0.485
MAT-POS-8a69d52e-1
0.485
MAT-POS-8a69d52e-2
0.485
ALP-POS-d3acb8cc-2
0.485
ALP-POS-d3acb8cc-3
0.485
MAT-POS-8a69d52e-3
0.485
DAR-DIA-0d514e7d-33
0.485
ALP-POS-d054b76b-1
0.485
MAT-POS-78e1d523-1
0.485
MAT-POS-d8472c4f-5
0.485
LUO-POS-868e8996-13
0.485
MAT-POS-66a736cf-1
0.485
MAR-UCB-6ab2ec87-6
0.485
DAR-DIA-0d514e7d-36
0.485
BEN-DND-f2e727cd-4
0.485
BEN-DND-f2e727cd-5
0.485
LUO-POS-868e8996-14
0.485
DAR-DIA-70d163b2-2
0.485
MIC-UNK-91acba05-3
0.485
MAT-POS-3ccb8ef6-1
0.485
MAT-POS-3ccb8ef6-2
0.485
ALP-UNI-c3ef0aba-2
0.485
EDJ-MED-12c4873b-4
0.481
EDJ-MED-43f8f7d6-1
0.481
LUO-POS-3f66b338-1
0.481
MAR-UCB-6ab2ec87-7
0.480
MAT-POS-43c25e9b-1
0.480
MIC-UNK-45817b9b-1
0.480
MAT-POS-43c25e9b-2
0.480
EDJ-MED-a6bd50ad-1
0.480
NAU-LAT-2fed8305-1
0.478
DAR-DIA-0d514e7d-18
0.476
RAL-THA-c9f97604-1
0.475
RAL-THA-8416115c-3
0.475
EDG-MED-5d232de5-6
0.475
PET-UNK-c0891748-12
0.475
RAL-THA-8416115c-2
0.475
MIC-UNK-91acba05-6
0.475
ADA-UCB-dc2b944c-15
0.475
DAR-DIA-0d514e7d-3
0.475
EDG-MED-5d232de5-5
0.475
DAR-DIA-0f2f46c9-12
0.475
ROB-UNI-322e8f70-2
0.475
PET-UNK-c0891748-6
0.475
MAT-POS-e2d70d27-1
0.472
PET-UNK-d61f3ea6-2
0.471
EDJ-MED-12c4873b-3
0.471
DAR-DIA-0f2f46c9-10
0.470
DAR-DIA-9f765dc6-1
0.470
DAR-DIA-9f765dc6-3
0.470
DAR-DIA-9f765dc6-4
0.470
MAT-POS-dd3ad2b5-1
0.470
BEN-DND-f2e727cd-6
0.470
MIC-UNK-45817b9b-2
0.470