Molecular Properties | |
SMILES: | COc1ccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cc(=O)[nH]c2c1 |
MW: | 384.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 80.42 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NAU-LAT-b7d8c353-3
0.678
VLA-UCB-05e51b3f-18
0.678
VLA-UCB-50c39ae8-11
0.678
JAG-UCB-c61058a9-45
0.678
FRA-DIA-e29753f2-1
0.678
BEN-DND-b89db3f2-1
0.678
JAG-UCB-52b62a6f-12
0.561
MAT-POS-f9802937-7
0.556
JAG-UCB-52b62a6f-10
0.550
JAG-UCB-52b62a6f-8
0.545
JOH-UNI-1b27fa5e-5
0.500
JOH-UNI-1b27fa5e-6
0.500
ALF-EVA-ced740bd-2
0.500
EDJ-MED-fb4b7746-4
0.495
EDG-MED-0e5afe9d-1
0.495
JOH-UNI-f51e3bbc-2
0.495
ALF-EVA-ced740bd-1
0.490
JOH-SUS-a69c159d-3
0.490
EDG-MED-0e5afe9d-2
0.490
EDJ-MED-fb4b7746-3
0.490
VLA-UCB-53bdeed6-3
0.490
BEN-DND-a7517465-8
0.485
BEN-DND-c852c98b-10
0.485
JOH-UNI-f51e3bbc-1
0.485
BRU-CON-c4e3408a-1
0.485
JAN-GHE-f4ca5a00-13
0.485
DAR-DIA-6a508060-6
0.485
NAU-LAT-8502cac5-16
0.485
MAT-POS-b3e365b9-3
0.485
MAT-POS-b3e365b9-4
0.485
NAU-LAT-b7d8c353-2
0.481
JAG-UCB-c61058a9-7
0.480
NAU-LAT-b7d8c353-4
0.479
BEN-DND-b89db3f2-2
0.479
EDJ-MED-fb4b7746-2
0.476
MAT-POS-b3e365b9-1
0.475
VLA-UCB-1dbca3b4-15
0.475
MAT-POS-f7918075-1
0.475
MAT-POS-b3e365b9-2
0.475
MAK-UNK-919546f0-1
0.475
MAK-UNK-f481d203-2
0.475
MAK-UNK-f481d203-1
0.475
BEN-DND-a7517465-6
0.472
EDJ-MED-eff36d94-1
0.471
ALP-POS-ce760d3f-4
0.471
JOH-SUS-a69c159d-1
0.471
BEN-DND-a7517465-10
0.471
ADA-UCB-dc2b944c-12
0.471
BEN-DND-c852c98b-8
0.471
NAU-LAT-8502cac5-13
0.471
JAG-UCB-c61058a9-11
0.470
NAU-LAT-b7d8c353-7
0.469
BEN-DND-c852c98b-6
0.467
ADA-UCB-dc2b944c-11
0.466
JOH-UNI-1b27fa5e-7
0.465
NAU-LAT-8502cac5-10
0.464
RAL-THA-3d7a794f-4
0.464
RAL-THA-b74298ba-1
0.464
BEN-DND-c852c98b-9
0.463
BEN-DND-c852c98b-2
0.463
BEN-DND-a7517465-9
0.463
EDJ-MED-fb4b7746-1
0.462
MAT-POS-2bb0cf2b-2
0.462
MAK-UNK-8be7dca9-9
0.462
ALF-EVA-5b152d2f-2
0.462
JAG-UCB-52b62a6f-13
0.462
ALP-POS-ce760d3f-2
0.461
BEN-DND-4f474d93-3
0.461
BEN-DND-4f474d93-1
0.461
EDJ-MED-e9694d2b-1
0.460
ERI-UCB-9c7ec71b-2
0.460
LON-WEI-0a73fcb8-7
0.460
JOH-UNI-f51e3bbc-4
0.458
JOH-SUS-a69c159d-5
0.457
WIL-UCB-7ba4ac3a-1
0.457
ADA-UCB-b1b30a00-8
0.457
ALP-POS-ce760d3f-7
0.456
ALP-POS-696356e4-1
0.456
BEN-DND-4f474d93-2
0.456
JOH-SUS-a69c159d-2
0.456
BEN-DND-c852c98b-4
0.456
EDG-MED-5d232de5-2
0.456
EDG-MED-5d232de5-1
0.456
ALP-POS-ce760d3f-3
0.456
RAL-THA-3d7a794f-2
0.455
VLA-UCB-53bdeed6-2
0.455
NAU-LAT-8502cac5-11
0.455
ALF-EVA-5b152d2f-8
0.454
NAU-LAT-b7d8c353-5
0.453
BEN-DND-c852c98b-5
0.453
BEN-DND-c852c98b-3
0.453
JAG-UCB-52b62a6f-6
0.451
MIC-UNK-deda7a44-6
0.451
EDJ-MED-97c1bf5c-3
0.450
JAG-UCB-52b62a6f-14
0.449
MAK-UNK-8be7dca9-5
0.449
BEN-DND-c852c98b-1
0.449
BEN-DND-c852c98b-7
0.449
BEN-DND-a7517465-11
0.449
VLA-UCB-50c39ae8-13
0.448