Molecular Properties | |
SMILES: | Cc1c(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)cncc1-c1ccccc1F |
MW: | 396.1 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 5.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-a7517465-5
0.591
MAT-POS-b3e365b9-3
0.584
BRU-CON-c4e3408a-1
0.584
DAR-DIA-6a508060-6
0.584
JAN-GHE-f4ca5a00-13
0.584
MAT-POS-b3e365b9-4
0.584
MAT-POS-b3e365b9-1
0.570
MAT-POS-b3e365b9-2
0.570
MAT-POS-f7918075-1
0.570
VLA-UCB-1dbca3b4-15
0.570
ALF-EVA-5b152d2f-2
0.568
EDG-MED-5d232de5-1
0.564
EDG-MED-5d232de5-2
0.564
JOH-SUS-a69c159d-1
0.564
ADA-UCB-dc2b944c-12
0.564
ALP-POS-696356e4-1
0.564
ALP-POS-ce760d3f-7
0.564
BEN-DND-a7517465-1
0.562
MAK-UNK-f481d203-2
0.554
ERI-UCB-9c7ec71b-2
0.554
EDJ-MED-e9694d2b-1
0.554
MAK-UNK-f481d203-1
0.554
MAK-UNK-919546f0-1
0.554
BEN-DND-c852c98b-8
0.547
BEN-DND-a7517465-10
0.547
JOH-SUS-a69c159d-2
0.547
BEN-DND-a7517465-7
0.546
BEN-DND-a7517465-3
0.542
BEN-DND-a7517465-2
0.542
NAU-LAT-b7d8c353-2
0.541
LON-WEI-0a73fcb8-7
0.538
BEN-DND-4f474d93-1
0.537
BEN-DND-4f474d93-3
0.537
ALP-POS-ce760d3f-2
0.537
ADA-UCB-dc2b944c-8
0.536
JOH-SUS-a69c159d-3
0.536
MAK-UNK-8be7dca9-5
0.535
BEN-DND-4f474d93-2
0.531
BEN-DND-c852c98b-4
0.531
JOH-UNI-1b27fa5e-5
0.531
ALP-POS-ce760d3f-3
0.531
MAK-UNK-8be7dca9-7
0.531
BEN-DND-c852c98b-10
0.531
BEN-DND-a7517465-8
0.531
BEN-DND-a7517465-6
0.530
ALF-EVA-5b152d2f-7
0.530
NAU-LAT-b7d8c353-8
0.530
MAK-UNK-8be7dca9-6
0.530
RAL-THA-3d7a794f-4
0.527
JOH-UNI-1b27fa5e-7
0.527
BEN-DND-c852c98b-3
0.525
BEN-DND-c852c98b-5
0.525
MAT-POS-f9802937-7
0.525
JAG-UCB-52b62a6f-13
0.520
MAK-UNK-8be7dca9-9
0.520
EDJ-MED-fb4b7746-2
0.520
EDJ-MED-fb4b7746-3
0.520
JOH-SUS-a69c159d-4
0.520
EDG-MED-0e5afe9d-2
0.520
MAT-POS-2bb0cf2b-2
0.520
EDJ-MED-fb4b7746-1
0.520
BEN-DND-c852c98b-7
0.520
BEN-DND-c852c98b-9
0.520
BEN-DND-a7517465-9
0.520
JOH-UNI-1b27fa5e-6
0.516
ADA-UCB-b1b30a00-8
0.515
ALF-EVA-5b152d2f-5
0.515
JAG-UCB-c61058a9-7
0.511
JAG-UCB-c61058a9-22
0.511
VLA-UCB-50c39ae8-11
0.510
FRA-DIA-e29753f2-1
0.510
JAG-UCB-c61058a9-45
0.510
BEN-DND-b89db3f2-1
0.510
VLA-UCB-05e51b3f-18
0.510
ADA-UCB-dc2b944c-11
0.510
NAU-LAT-b7d8c353-3
0.510
NAU-LAT-b7d8c353-5
0.510
JOH-UNI-f51e3bbc-2
0.510
BEN-DND-c852c98b-6
0.510
EDJ-MED-fb4b7746-4
0.510
EDG-MED-0e5afe9d-1
0.510
ALF-EVA-5b152d2f-8
0.510
NAU-LAT-b7d8c353-1
0.505
VLA-UCB-53bdeed6-3
0.505
VLA-UCB-05e51b3f-20
0.505
VLA-UCB-50c39ae8-13
0.505
JOH-UNI-1b27fa5e-1
0.505
BEN-DND-c852c98b-1
0.505
BEN-DND-c852c98b-2
0.505
JAG-UCB-c61058a9-11
0.500
ADA-UCB-dc2b944c-9
0.500
ADA-UCB-dc2b944c-10
0.500
EDJ-MED-eff36d94-1
0.500
JOH-SUS-a69c159d-5
0.500
ALP-POS-ce760d3f-4
0.500
MAK-UNK-8be7dca9-8
0.500
NAU-LAT-b7d8c353-6
0.495
MAK-UNK-8be7dca9-2
0.495
JOH-UNI-1b27fa5e-2
0.490
JOH-SUS-a69c159d-6
0.490