Molecular Properties | |
SMILES: | O=C(O)c1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1 |
MW: | 382.07 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 88.52 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
EDG-MED-5d232de5-1
0.768
ALP-POS-ce760d3f-7
0.768
ALP-POS-696356e4-1
0.768
EDG-MED-5d232de5-2
0.768
MAK-UNK-8be7dca9-9
0.750
BEN-DND-c852c98b-4
0.747
BEN-DND-c852c98b-3
0.733
ALF-EVA-5b152d2f-2
0.729
BEN-DND-c852c98b-7
0.724
MAK-UNK-8be7dca9-8
0.716
BEN-DND-c852c98b-5
0.713
MAT-POS-f9802937-7
0.713
BEN-DND-c852c98b-1
0.705
BEN-DND-c852c98b-2
0.700
ALF-EVA-5b152d2f-7
0.697
VLA-UCB-1dbca3b4-15
0.694
MAT-POS-b3e365b9-1
0.694
MAT-POS-b3e365b9-2
0.694
MAT-POS-f7918075-1
0.694
BEN-DND-c852c98b-6
0.689
ALP-POS-ce760d3f-3
0.686
BEN-DND-4f474d93-2
0.686
MAK-UNK-8be7dca9-4
0.681
WIL-UCB-7ba4ac3a-1
0.663
BEN-DND-4f474d93-1
0.655
BEN-DND-4f474d93-3
0.655
ALF-EVA-5b152d2f-3
0.655
ALP-POS-ce760d3f-2
0.655
ALF-EVA-5b152d2f-8
0.617
MAK-UNK-8be7dca9-5
0.613
ALF-EVA-5b152d2f-5
0.606
MAK-UNK-8be7dca9-2
0.600
ADA-UCB-dc2b944c-8
0.598
EDJ-MED-611d11e7-6
0.581
ALF-EVA-5b152d2f-1
0.581
ALF-EVA-ced740bd-1
0.579
MAK-UNK-8be7dca9-6
0.573
NAU-LAT-b7d8c353-8
0.573
BEN-DND-a7517465-2
0.570
BEN-DND-a7517465-5
0.570
BEN-DND-a7517465-3
0.570
MAT-POS-b3e365b9-3
0.562
BRU-CON-c4e3408a-1
0.562
JAN-GHE-f4ca5a00-13
0.562
DAR-DIA-6a508060-6
0.562
MAT-POS-b3e365b9-4
0.562
MAR-UCB-6ab2ec87-5
0.560
BEN-DND-c852c98b-8
0.559
BEN-DND-a7517465-10
0.559
BEN-DND-a7517465-1
0.558
MAK-UNK-8be7dca9-1
0.558
BEN-DND-a7517465-6
0.557
ALF-EVA-ced740bd-2
0.557
MAK-UNK-919546f0-1
0.549
EDJ-MED-e9694d2b-1
0.549
ERI-UCB-9c7ec71b-2
0.549
MAK-UNK-f481d203-2
0.549
MAK-UNK-f481d203-1
0.549
LON-WEI-0a73fcb8-7
0.549
JOH-SUS-a69c159d-4
0.547
EDJ-MED-fb4b7746-2
0.547
JOH-SUS-a69c159d-3
0.547
JOH-SUS-a69c159d-2
0.543
ADA-UCB-dc2b944c-12
0.543
JOH-SUS-a69c159d-1
0.543
JOH-SUS-a69c159d-5
0.542
BEN-DND-c852c98b-10
0.542
BEN-DND-a7517465-7
0.542
BEN-DND-a7517465-8
0.542
RAL-THA-3d7a794f-4
0.539
ADA-UCB-dc2b944c-11
0.537
NAU-LAT-b7d8c353-2
0.536
EDJ-MED-fb4b7746-4
0.535
EDG-MED-0e5afe9d-1
0.535
JOH-UNI-1b27fa5e-1
0.531
EDJ-MED-fb4b7746-3
0.531
EDG-MED-0e5afe9d-2
0.531
ALF-EVA-5b152d2f-4
0.531
BEN-DND-a7517465-11
0.531
BEN-DND-a7517465-9
0.530
BEN-DND-c852c98b-9
0.530
JOH-UNI-1b27fa5e-6
0.527
MAT-POS-11b63608-1
0.526
RAL-THA-05e671eb-6
0.526
JAG-UCB-c61058a9-7
0.522
JOH-UNI-1b27fa5e-7
0.522
JOH-UNI-f51e3bbc-2
0.520
EDJ-MED-611d11e7-3
0.520
EDJ-MED-611d11e7-9
0.520
NAU-LAT-b7d8c353-6
0.520
JAG-UCB-c61058a9-6
0.516
VLA-UCB-53bdeed6-3
0.516
NAU-LAT-b7d8c353-1
0.516
ADA-UCB-dc2b944c-7
0.516
RAL-THA-05e671eb-4
0.516
VLA-UCB-05e51b3f-20
0.515
VLA-UCB-50c39ae8-13
0.515
JAG-UCB-52b62a6f-13
0.515
ERI-UCB-b3e6b0c2-1
0.515
JOH-UNI-1b27fa5e-2
0.515