Molecular Properties | |
SMILES: | COc1c(Cl)ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12 |
MW: | 402.05 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 5.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-f7918075-2
BEN-DND-a7517465-3
0.701
ALF-EVA-ced740bd-2
0.700
BEN-DND-a7517465-6
0.700
BEN-DND-a7517465-1
0.667
BEN-DND-a7517465-5
0.663
BEN-DND-a7517465-2
0.663
MAT-POS-f9802937-7
0.641
MAT-POS-b3e365b9-2
0.622
BEN-DND-4f474d93-1
0.622
VLA-UCB-1dbca3b4-15
0.622
MAT-POS-f7918075-1
0.622
BEN-DND-4f474d93-3
0.622
MAT-POS-b3e365b9-1
0.622
ALP-POS-ce760d3f-2
0.622
MAK-UNK-8be7dca9-5
0.617
BEN-DND-4f474d93-2
0.615
BEN-DND-c852c98b-4
0.615
ALP-POS-ce760d3f-3
0.615
ALF-EVA-5b152d2f-8
0.604
ALF-EVA-5b152d2f-2
0.602
MAK-UNK-8be7dca9-9
0.602
ALP-POS-696356e4-1
0.598
ALP-POS-ce760d3f-7
0.598
EDG-MED-5d232de5-2
0.598
EDG-MED-5d232de5-1
0.598
BEN-DND-c852c98b-3
0.589
BEN-DND-c852c98b-5
0.589
MAK-UNK-8be7dca9-2
0.588
ADA-UCB-dc2b944c-8
0.585
WIL-UCB-7ba4ac3a-1
0.579
MAK-UNK-8be7dca9-7
0.579
ALF-EVA-5b152d2f-5
0.577
JOH-UNI-f51e3bbc-2
0.573
BEN-DND-c852c98b-6
0.571
BEN-DND-c852c98b-1
0.567
BEN-DND-c852c98b-7
0.567
BRU-CON-c4e3408a-1
0.567
JAN-GHE-f4ca5a00-13
0.567
MAT-POS-b3e365b9-3
0.567
MAT-POS-b3e365b9-4
0.567
DAR-DIA-6a508060-6
0.567
BEN-DND-c852c98b-2
0.566
ALF-EVA-5b152d2f-7
0.561
MAK-UNK-8be7dca9-8
0.561
MAK-UNK-919546f0-1
0.554
MAK-UNK-f481d203-1
0.554
MAK-UNK-f481d203-2
0.554
MAK-UNK-8be7dca9-6
0.545
NAU-LAT-b7d8c353-8
0.545
EDJ-MED-e9694d2b-1
0.538
LON-WEI-0a73fcb8-7
0.538
ERI-UCB-9c7ec71b-2
0.538
VLA-UCB-53bdeed6-3
0.538
EDJ-MED-fb4b7746-2
0.536
EDG-MED-0e5afe9d-2
0.536
EDJ-MED-fb4b7746-3
0.536
EDJ-MED-fb4b7746-1
0.535
MAT-POS-2bb0cf2b-2
0.535
MAK-UNK-8be7dca9-1
0.533
BEN-DND-c852c98b-8
0.531
ADA-UCB-dc2b944c-12
0.531
JOH-SUS-a69c159d-1
0.531
BEN-DND-a7517465-10
0.531
RAL-THA-3d7a794f-4
0.527
JOH-UNI-1b27fa5e-7
0.527
EDG-MED-0e5afe9d-1
0.525
EDJ-MED-fb4b7746-4
0.525
NAU-LAT-b7d8c353-6
0.525
MAK-UNK-8be7dca9-4
0.524
ALF-EVA-5b152d2f-3
0.521
JOH-SUS-a69c159d-3
0.520
BEN-DND-a7517465-11
0.520
BEN-DND-a7517465-9
0.520
BEN-DND-c852c98b-9
0.520
JOH-UNI-1b27fa5e-6
0.516
JOH-UNI-1b27fa5e-5
0.515
JOH-SUS-a69c159d-2
0.515
BEN-DND-c852c98b-10
0.515
BEN-DND-a7517465-8
0.515
JOH-UNI-f51e3bbc-4
0.515
JAG-UCB-c61058a9-7
0.511
ADA-UCB-dc2b944c-11
0.510
NAU-LAT-b7d8c353-2
0.510
NAU-LAT-b7d8c353-1
0.505
JAG-UCB-52b62a6f-13
0.505
ALF-EVA-5b152d2f-1
0.505
JOH-SUS-a69c159d-4
0.505
JOH-UNI-1b27fa5e-1
0.505
JOH-UNI-1b27fa5e-2
0.505
RAL-THA-3d7a794f-3
0.500
RAL-THA-05e671eb-8
0.500
JAG-UCB-c61058a9-11
0.500
JOH-SUS-a69c159d-5
0.500
JAG-UCB-52b62a6f-8
0.500
NAU-LAT-8502cac5-13
0.500
BEN-DND-a7517465-7
0.500
NAU-LAT-b7d8c353-5
0.495
JAG-UCB-c61058a9-46
0.490
JAG-UCB-c61058a9-32
0.490
ALF-EVA-5b152d2f-4
0.490