Molecular Properties | |
SMILES: | NCc1cccc2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc12 |
MW: | 367.11 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 77.24 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
MAK-UNK-8be7dca9-6
1.000
ADA-UCB-dc2b944c-8
0.724
MAT-POS-b3e365b9-2
0.633
MAT-POS-f7918075-1
0.633
VLA-UCB-1dbca3b4-15
0.633
MAT-POS-b3e365b9-1
0.633
MAK-UNK-8be7dca9-5
0.628
BEN-DND-4f474d93-3
0.615
ALP-POS-ce760d3f-2
0.615
BEN-DND-4f474d93-1
0.615
MAK-UNK-8be7dca9-2
0.615
ALP-POS-ce760d3f-3
0.609
BEN-DND-4f474d93-2
0.609
EDG-MED-5d232de5-1
0.591
ALP-POS-ce760d3f-7
0.591
ADA-UCB-dc2b944c-12
0.591
ALP-POS-696356e4-1
0.591
EDG-MED-5d232de5-2
0.591
JOH-SUS-a69c159d-1
0.591
BEN-DND-c852c98b-4
0.591
WIL-UCB-7ba4ac3a-1
0.589
MAK-UNK-8be7dca9-8
0.588
LON-WEI-0a73fcb8-7
0.582
ALF-EVA-5b152d2f-8
0.582
ALF-EVA-5b152d2f-2
0.579
JOH-SUS-a69c159d-3
0.579
MAK-UNK-8be7dca9-9
0.579
JOH-SUS-a69c159d-4
0.579
BEN-DND-c852c98b-1
0.577
JOH-SUS-a69c159d-2
0.574
MAK-UNK-8be7dca9-7
0.573
ALF-EVA-5b152d2f-5
0.571
BEN-DND-a7517465-3
0.568
BEN-DND-a7517465-2
0.568
BEN-DND-a7517465-5
0.568
ADA-UCB-dc2b944c-11
0.568
MAT-POS-f9802937-7
0.567
BEN-DND-c852c98b-3
0.567
BEN-DND-c852c98b-5
0.567
RUB-POS-1325a9ea-10
0.561
BEN-DND-c852c98b-7
0.561
BEN-DND-a7517465-1
0.557
ALF-EVA-5b152d2f-7
0.556
JOH-UNI-f51e3bbc-2
0.551
BEN-DND-c852c98b-6
0.550
NAU-LAT-b7d8c353-1
0.548
JOH-UNI-1b27fa5e-1
0.546
ALF-EVA-ced740bd-1
0.545
BEN-DND-c852c98b-2
0.545
BRU-CON-c4e3408a-1
0.543
JAN-GHE-f4ca5a00-13
0.543
DAR-DIA-6a508060-6
0.543
MAT-POS-b3e365b9-3
0.543
MAT-POS-b3e365b9-4
0.543
BEN-DND-a7517465-6
0.540
MAK-UNK-8be7dca9-4
0.533
MAK-UNK-f481d203-1
0.532
MAK-UNK-919546f0-1
0.532
MAK-UNK-f481d203-2
0.532
ERI-UCB-9c7ec71b-2
0.532
EDJ-MED-e9694d2b-1
0.532
JAG-UCB-52b62a6f-13
0.531
BEN-DND-a7517465-11
0.530
JOH-UNI-1b27fa5e-6
0.526
BEN-DND-a7517465-10
0.526
BEN-DND-c852c98b-8
0.526
JOH-SUS-a69c159d-5
0.525
BEN-DND-a7517465-7
0.525
ALF-EVA-ced740bd-2
0.525
JOH-UNI-1b27fa5e-7
0.521
VLA-UCB-53bdeed6-3
0.516
ALF-EVA-5b152d2f-3
0.515
EDJ-MED-fb4b7746-3
0.515
EDG-MED-0e5afe9d-2
0.515
ALF-EVA-5b152d2f-1
0.515
EDJ-MED-fb4b7746-2
0.515
MAK-UNK-8be7dca9-1
0.514
JOH-UNI-f51e3bbc-1
0.510
BEN-DND-a7517465-8
0.510
BEN-DND-c852c98b-10
0.510
RAL-THA-3d7a794f-4
0.505
JAG-UCB-c61058a9-7
0.505
NAU-LAT-b7d8c353-3
0.505
JAG-UCB-c61058a9-45
0.505
BEN-DND-b89db3f2-1
0.505
FRA-DIA-e29753f2-1
0.505
VLA-UCB-05e51b3f-18
0.505
VLA-UCB-50c39ae8-11
0.505
NAU-LAT-b7d8c353-2
0.505
NAU-LAT-b7d8c353-5
0.505
JAG-UCB-c61058a9-6
0.500
BEN-DND-c852c98b-9
0.500
MAT-POS-2bb0cf2b-2
0.500
BEN-DND-a7517465-9
0.500
JOH-UNI-1b27fa5e-2
0.500
EDJ-MED-fb4b7746-1
0.500
JOH-UNI-f51e3bbc-3
0.495
EDJ-MED-eff36d94-1
0.495
ALP-POS-ce760d3f-4
0.495
ADA-UCB-dc2b944c-9
0.495