Molecular Properties | |
SMILES: | CC(C)(O)c1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1 |
MW: | 396.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.45 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
ALF-EVA-5b152d2f-2
0.741
EDG-MED-5d232de5-1
0.738
ALP-POS-696356e4-1
0.738
ALP-POS-ce760d3f-7
0.738
EDG-MED-5d232de5-2
0.738
BEN-DND-c852c98b-4
0.738
MAK-UNK-8be7dca9-7
0.733
BEN-DND-c852c98b-5
0.724
MAT-POS-f9802937-7
0.724
BEN-DND-c852c98b-7
0.716
BEN-DND-c852c98b-1
0.697
BEN-DND-c852c98b-2
0.692
MAK-UNK-8be7dca9-8
0.689
ALF-EVA-5b152d2f-7
0.689
MAT-POS-b3e365b9-1
0.686
VLA-UCB-1dbca3b4-15
0.686
MAT-POS-f7918075-1
0.686
MAT-POS-b3e365b9-2
0.686
BEN-DND-c852c98b-6
0.681
BEN-DND-4f474d93-2
0.678
ALP-POS-ce760d3f-3
0.678
BEN-DND-4f474d93-3
0.667
BEN-DND-4f474d93-1
0.667
ALP-POS-ce760d3f-2
0.667
WIL-UCB-7ba4ac3a-1
0.656
ALF-EVA-5b152d2f-3
0.648
MAK-UNK-8be7dca9-9
0.644
MAK-UNK-8be7dca9-4
0.639
ALF-EVA-5b152d2f-8
0.611
MAK-UNK-8be7dca9-5
0.606
ALF-EVA-5b152d2f-5
0.600
MAK-UNK-8be7dca9-2
0.594
ADA-UCB-dc2b944c-8
0.591
ALF-EVA-ced740bd-1
0.589
ALF-EVA-ced740bd-2
0.583
MAK-UNK-f481d203-1
0.578
MAK-UNK-f481d203-2
0.578
MAK-UNK-919546f0-1
0.578
ALF-EVA-5b152d2f-1
0.574
BRU-CON-c4e3408a-1
0.573
MAT-POS-b3e365b9-4
0.573
JAN-GHE-f4ca5a00-13
0.573
DAR-DIA-6a508060-6
0.573
MAT-POS-b3e365b9-3
0.573
BEN-DND-a7517465-1
0.568
MAK-UNK-8be7dca9-6
0.567
NAU-LAT-b7d8c353-8
0.567
BEN-DND-a7517465-6
0.567
BEN-DND-a7517465-3
0.564
BEN-DND-a7517465-2
0.564
BEN-DND-a7517465-5
0.564
EDG-MED-0e5afe9d-1
0.561
EDJ-MED-fb4b7746-4
0.561
LON-WEI-0a73fcb8-7
0.560
JOH-SUS-a69c159d-4
0.558
ADA-UCB-dc2b944c-12
0.553
JOH-SUS-a69c159d-1
0.553
RAL-THA-05e671eb-6
0.552
EDJ-MED-e9694d2b-1
0.543
ERI-UCB-9c7ec71b-2
0.543
EDJ-MED-611d11e7-6
0.542
JOH-SUS-a69c159d-3
0.542
EDJ-MED-fb4b7746-1
0.541
MAT-POS-2bb0cf2b-2
0.541
MAK-UNK-8be7dca9-1
0.538
JOH-UNI-1b27fa5e-6
0.538
MAR-UCB-6ab2ec87-5
0.538
JOH-SUS-a69c159d-2
0.537
BEN-DND-c852c98b-8
0.537
BEN-DND-a7517465-10
0.537
JOH-SUS-a69c159d-5
0.536
RAL-THA-3d7a794f-4
0.533
ADA-UCB-dc2b944c-11
0.531
JOH-UNI-f51e3bbc-2
0.531
JAG-UCB-c61058a9-6
0.527
EDG-MED-0e5afe9d-2
0.526
EDJ-MED-fb4b7746-2
0.526
ALF-EVA-5b152d2f-4
0.526
ERI-UCB-b3e6b0c2-1
0.526
EDJ-MED-fb4b7746-3
0.526
JOH-UNI-1b27fa5e-1
0.526
BEN-DND-a7517465-11
0.525
RAL-THA-05e671eb-5
0.521
JOH-UNI-1b27fa5e-5
0.521
MAT-POS-11b63608-1
0.521
ADA-UCB-dc2b944c-5
0.521
BEN-DND-a7517465-8
0.520
BEN-DND-c852c98b-10
0.520
BEN-DND-a7517465-7
0.520
JAG-UCB-c61058a9-7
0.516
JOH-UNI-1b27fa5e-7
0.516
JAG-UCB-c61058a9-9
0.516
NAU-LAT-b7d8c353-2
0.515
EDJ-MED-611d11e7-3
0.515
EDJ-MED-611d11e7-9
0.515
NAU-LAT-b7d8c353-6
0.515
ERI-UCB-b3e6b0c2-7
0.515
VLA-UCB-53bdeed6-3
0.511
ADA-UCB-dc2b944c-7
0.510
RAL-THA-05e671eb-4
0.510