Molecular Properties | |
SMILES: | O=C(O)Cc1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1 |
MW: | 396.09 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 88.52 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
BEN-DND-c852c98b-4
0.741
ALP-POS-ce760d3f-7
0.721
EDG-MED-5d232de5-1
0.721
ALP-POS-696356e4-1
0.721
EDG-MED-5d232de5-2
0.721
MAK-UNK-8be7dca9-7
0.716
MAT-POS-f9802937-7
0.708
ALF-EVA-5b152d2f-2
0.705
BEN-DND-c852c98b-5
0.689
BEN-DND-c852c98b-3
0.689
BEN-DND-c852c98b-1
0.681
BEN-DND-c852c98b-7
0.681
ALF-EVA-5b152d2f-7
0.674
MAT-POS-b3e365b9-2
0.670
VLA-UCB-1dbca3b4-15
0.670
MAT-POS-b3e365b9-1
0.670
MAT-POS-f7918075-1
0.670
MAK-UNK-8be7dca9-2
0.667
BEN-DND-c852c98b-6
0.667
ALP-POS-ce760d3f-3
0.663
BEN-DND-4f474d93-2
0.663
BEN-DND-c852c98b-2
0.660
WIL-UCB-7ba4ac3a-1
0.659
ALF-EVA-5b152d2f-8
0.649
MAK-UNK-8be7dca9-5
0.645
RUB-POS-1325a9ea-10
0.645
BEN-DND-4f474d93-3
0.633
ALP-POS-ce760d3f-2
0.633
ALF-EVA-5b152d2f-3
0.633
BEN-DND-4f474d93-1
0.633
MAK-UNK-8be7dca9-9
0.630
MAK-UNK-8be7dca9-4
0.626
ALF-EVA-5b152d2f-5
0.604
ERI-UCB-b3e6b0c2-1
0.596
MAK-UNK-8be7dca9-6
0.588
NAU-LAT-b7d8c353-8
0.588
ADA-UCB-dc2b944c-8
0.579
MAK-UNK-8be7dca9-1
0.571
LON-WEI-0a73fcb8-7
0.565
ALF-EVA-5b152d2f-1
0.562
ALF-EVA-ced740bd-1
0.561
BEN-DND-a7517465-2
0.552
BEN-DND-a7517465-3
0.552
BEN-DND-a7517465-5
0.552
NAU-LAT-b7d8c353-1
0.548
MAK-UNK-f481d203-1
0.548
MAK-UNK-919546f0-1
0.548
MAK-UNK-f481d203-2
0.548
JOH-SUS-a69c159d-3
0.546
EDJ-MED-fb4b7746-2
0.546
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-a7517465-1
0.541
ALF-EVA-ced740bd-2
0.540
ERI-UCB-9c7ec71b-2
0.532
EDJ-MED-e9694d2b-1
0.532
EDJ-MED-611d11e7-6
0.531
ERI-UCB-b3e6b0c2-6
0.528
JOH-UNI-1b27fa5e-6
0.526
MAR-UCB-6ab2ec87-5
0.526
JOH-SUS-a69c159d-2
0.526
BEN-DND-a7517465-10
0.526
BEN-DND-c852c98b-8
0.526
ADA-UCB-dc2b944c-12
0.526
JOH-SUS-a69c159d-1
0.526
JOH-SUS-a69c159d-5
0.525
BEN-DND-a7517465-7
0.525
BEN-DND-a7517465-6
0.525
ADA-UCB-dc2b944c-11
0.520
JOH-UNI-f51e3bbc-2
0.520
EDJ-MED-fb4b7746-4
0.520
EDG-MED-0e5afe9d-1
0.520
EDJ-MED-fb4b7746-3
0.515
EDG-MED-0e5afe9d-2
0.515
JOH-SUS-a69c159d-4
0.515
JOH-UNI-1b27fa5e-1
0.515
ALF-EVA-5b152d2f-4
0.515
MAT-POS-11b63608-1
0.510
JOH-UNI-1b27fa5e-5
0.510
BEN-DND-c852c98b-10
0.510
BEN-DND-a7517465-8
0.510
RAL-THA-3d7a794f-4
0.505
JAG-UCB-c61058a9-7
0.505
JOH-UNI-1b27fa5e-7
0.505
NAU-LAT-b7d8c353-2
0.505
MAK-UNK-f481d203-5
0.505
MAK-UNK-919546f0-3
0.505
MAK-UNK-f481d203-6
0.505
EDJ-MED-611d11e7-9
0.505
ERI-UCB-b3e6b0c2-7
0.505
VLA-UCB-05e51b3f-20
0.500
VLA-UCB-50c39ae8-13
0.500
ADA-UCB-dc2b944c-7
0.500
EDJ-MED-fb4b7746-1
0.500
JAG-UCB-c61058a9-6
0.500
VLA-UCB-53bdeed6-3
0.500
RAL-THA-05e671eb-4
0.500