Molecular Properties | |
SMILES: | Cc1ccc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)c2c1 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
ALP-POS-696356e4-1
0.778
ALP-POS-ce760d3f-7
0.778
EDG-MED-5d232de5-2
0.778
EDG-MED-5d232de5-1
0.778
BEN-DND-c852c98b-4
0.756
BEN-DND-c852c98b-3
0.741
BEN-DND-c852c98b-5
0.741
MAT-POS-f9802937-7
0.741
MAK-UNK-8be7dca9-7
0.729
BEN-DND-c852c98b-7
0.713
BEN-DND-c852c98b-1
0.713
BEN-DND-c852c98b-2
0.708
MAK-UNK-8be7dca9-8
0.705
ALF-EVA-5b152d2f-7
0.705
MAT-POS-b3e365b9-1
0.702
MAT-POS-f7918075-1
0.702
MAT-POS-b3e365b9-2
0.702
VLA-UCB-1dbca3b4-15
0.702
BEN-DND-c852c98b-6
0.697
ALP-POS-ce760d3f-3
0.694
BEN-DND-4f474d93-2
0.694
BEN-DND-4f474d93-3
0.682
BEN-DND-4f474d93-1
0.682
ALP-POS-ce760d3f-2
0.682
WIL-UCB-7ba4ac3a-1
0.670
ALF-EVA-5b152d2f-3
0.663
MAK-UNK-8be7dca9-4
0.653
ALF-EVA-5b152d2f-8
0.641
MAK-UNK-8be7dca9-9
0.640
MAK-UNK-8be7dca9-2
0.624
MAK-UNK-8be7dca9-5
0.620
ALF-EVA-5b152d2f-5
0.613
DAR-DIA-6a508060-6
0.605
BRU-CON-c4e3408a-1
0.605
JAN-GHE-f4ca5a00-13
0.605
MAT-POS-b3e365b9-4
0.605
MAT-POS-b3e365b9-3
0.605
ADA-UCB-dc2b944c-8
0.604
ALF-EVA-ced740bd-1
0.602
ADA-UCB-dc2b944c-5
0.600
RAL-THA-05e671eb-5
0.600
BEN-DND-a7517465-1
0.598
BEN-DND-a7517465-5
0.593
ALF-EVA-5b152d2f-1
0.587
EDJ-MED-611d11e7-6
0.587
ADA-UCB-dc2b944c-12
0.582
JOH-SUS-a69c159d-1
0.582
ALF-EVA-ced740bd-2
0.579
MAK-UNK-8be7dca9-6
0.579
NAU-LAT-b7d8c353-8
0.579
BEN-DND-a7517465-3
0.576
BEN-DND-a7517465-2
0.576
MAK-UNK-f481d203-1
0.573
MAK-UNK-f481d203-2
0.573
MAK-UNK-919546f0-1
0.573
JOH-SUS-a69c159d-3
0.570
BEN-DND-a7517465-11
0.568
MAR-UCB-6ab2ec87-5
0.567
BEN-DND-a7517465-10
0.565
JOH-SUS-a69c159d-2
0.565
BEN-DND-c852c98b-8
0.565
JOH-SUS-a69c159d-5
0.564
BEN-DND-a7517465-6
0.562
EDJ-MED-fb4b7746-4
0.557
EDJ-MED-611d11e7-3
0.557
EDJ-MED-611d11e7-9
0.557
EDG-MED-0e5afe9d-1
0.557
EDJ-MED-e9694d2b-1
0.556
ERI-UCB-9c7ec71b-2
0.556
LON-WEI-0a73fcb8-7
0.556
JOH-UNI-1b27fa5e-5
0.548
MAK-UNK-8be7dca9-1
0.548
RAL-THA-3d7a794f-4
0.545
JOH-UNI-1b27fa5e-7
0.544
ADA-UCB-dc2b944c-11
0.543
JOH-UNI-f51e3bbc-2
0.542
NAU-LAT-b7d8c353-2
0.542
NAU-LAT-b7d8c353-6
0.541
ADA-UCB-dc2b944c-7
0.538
RAL-THA-05e671eb-4
0.538
JOH-SUS-a69c159d-4
0.537
JOH-UNI-1b27fa5e-1
0.537
EDJ-MED-fb4b7746-2
0.537
EDG-MED-0e5afe9d-2
0.537
EDJ-MED-fb4b7746-3
0.537
ALF-EVA-5b152d2f-4
0.537
MAT-POS-2bb0cf2b-2
0.536
EDJ-MED-fb4b7746-1
0.536
JOH-UNI-1b27fa5e-6
0.533
MAT-POS-11b63608-1
0.532
BEN-DND-a7517465-8
0.531
ADA-UCB-dc2b944c-10
0.531
BEN-DND-a7517465-7
0.531
BEN-DND-c852c98b-10
0.531
JAG-UCB-c61058a9-7
0.527
ERI-UCB-b3e6b0c2-7
0.525
JAG-UCB-c61058a9-6
0.522
VLA-UCB-53bdeed6-3
0.522
RAL-THA-05e671eb-10
0.521
MAT-POS-a13804f0-2
0.521