Molecular Properties | |
SMILES: | O=C1CC(NC(=O)C2CCOc3ccc(Cl)cc32)c2ccccc21 |
MW: | 341.08 |
Fraction sp3: | 0.26 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 55.4 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
NAU-LAT-64bf4c5d-1
1.000
MIC-UNK-fc94cdb5-2
0.600
MIC-UNK-42806bd5-4
0.595
NAU-LAT-64bf4c5d-3
0.565
ALP-POS-8b8a49e1-3
0.562
MIC-UNK-4c7b8ba7-2
0.560
DAR-DIA-6a508060-7
0.558
ALP-POS-8b8a49e1-1
0.542
MIC-UNK-42806bd5-3
0.542
ALP-POS-8b8a49e1-4
0.523
NAU-LAT-8502cac5-11
0.500
MIC-UNK-13557a72-2
0.500
JAN-GHE-f4ca5a00-23
0.489
JAG-UCB-52b62a6f-6
0.478
NAU-LAT-8502cac5-10
0.477
VLA-UNK-0ffe3317-2
0.473
NAU-LAT-28398581-7
0.472
JAG-UCB-c61058a9-6
0.472
JAG-UCB-a3ef7265-20
0.467
NAU-LAT-b7d8c353-7
0.467
JAG-UCB-119787ef-1
0.467
MAT-POS-968e8d9c-1
0.467
ADA-UCB-b1b30a00-6
0.463
NAU-LAT-28398581-3
0.462
JAG-UCB-c61058a9-9
0.462
NAU-LAT-64bf4c5d-2
0.462
RAL-THA-3d7a794f-4
0.461
NAU-LAT-b7d8c353-4
0.461
BEN-DND-b89db3f2-2
0.461
BEN-DND-a7517465-11
0.459
JAN-GHE-f4ca5a00-2
0.458
VLA-UNK-0ffe3317-7
0.457
JAN-GHE-f4ca5a00-21
0.457
ERI-UCB-9c7ec71b-2
0.457
EDJ-MED-e9694d2b-1
0.457
PET-UNK-158bee2a-5
0.457
JOH-UNI-16fcdf60-1
0.456
BEN-DND-a7517465-7
0.454
EDJ-MED-ba7e64f2-3
0.454
ADA-UCB-dc2b944c-9
0.454
EDJ-MED-ba7e64f2-2
0.453
ADA-UCB-dc2b944c-12
0.453
JOH-SUS-a69c159d-1
0.453
JOH-UNI-f51e3bbc-1
0.453
NAU-LAT-8502cac5-16
0.451
RAL-THA-b74298ba-3
0.451
EDG-MED-fe7487f8-9
0.451
NAU-LAT-8502cac5-15
0.451
JAG-UCB-c61058a9-41
0.451
VLA-UCB-53bdeed6-2
0.451
PET-UNK-158bee2a-7
0.449
VLA-UCB-05e51b3f-18
0.448
ADA-UCB-dc2b944c-11
0.448
FRA-DIA-e29753f2-1
0.448
BEN-DND-b89db3f2-1
0.448
JAG-UCB-c61058a9-45
0.448
NAU-LAT-b7d8c353-3
0.448
VLA-UCB-50c39ae8-11
0.448
VLA-UNK-0ffe3317-1
0.447
NAU-LAT-28398581-8
0.447
RAL-THA-3d7a794f-1
0.446
JAG-UCB-c61058a9-22
0.446
MIC-UNK-b12b7f76-1
0.446
PET-UNK-3e029fdc-1
0.446
JAG-UCB-c61058a9-7
0.446
MAT-POS-afb6844f-1
0.446
RAL-THA-b74298ba-1
0.444
JOH-UNI-1b27fa5e-3
0.443
RAL-THA-b74298ba-4
0.442
JAN-GHE-f4ca5a00-1
0.442
MAT-POS-f7918075-1
0.442
MAT-POS-b3e365b9-2
0.442
PET-UNK-b1ef24dc-7
0.442
JOH-SUS-a69c159d-6
0.442
ERI-UCB-a38d41be-1
0.442
MAT-POS-b3e365b9-1
0.442
VLA-UCB-1dbca3b4-15
0.442
BEN-DND-02317c5c-3
0.442
MAT-POS-51833a24-1
0.442
MAK-UNK-f481d203-2
0.441
ERI-UCB-9c7ec71b-4
0.441
MAK-UNK-919546f0-1
0.441
NAU-LAT-8502cac5-12
0.441
EDG-MED-fe7487f8-8
0.441
JAG-UCB-c61058a9-44
0.441
VLA-UCB-53bdeed6-3
0.441
NAU-LAT-b7d8c353-1
0.441
MAK-UNK-f481d203-1
0.441
LON-WEI-0a73fcb8-7
0.441
JAN-GHE-f4ca5a00-22
0.441
MAT-POS-a3f7f96a-2
0.440
ADA-UCB-b1b30a00-8
0.439
RAL-THA-04c5403f-1
0.438
JAG-UCB-52b62a6f-17
0.438
JOH-SUS-a69c159d-2
0.438
ROB-UNI-569bc02e-5
0.438
MAT-POS-500f4700-1
0.436
JAG-UCB-c61058a9-2
0.436
JAG-UCB-c61058a9-11
0.436
ROB-UNI-569bc02e-3
0.436