Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(CC3CC3)ccc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 392.13 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 5.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
MAK-UNK-8be7dca9-5
0.791
MAK-UNK-8be7dca9-2
0.773
MAK-UNK-8be7dca9-9
0.697
MAK-UNK-8be7dca9-1
0.694
MAT-POS-b3e365b9-2
0.682
MAT-POS-b3e365b9-1
0.682
VLA-UCB-1dbca3b4-15
0.682
MAT-POS-f7918075-1
0.682
ALF-EVA-5b152d2f-5
0.667
ALP-POS-ce760d3f-2
0.663
BEN-DND-4f474d93-1
0.663
BEN-DND-4f474d93-3
0.663
WIL-UCB-7ba4ac3a-1
0.652
MAK-UNK-8be7dca9-8
0.649
ALF-EVA-5b152d2f-2
0.641
ALP-POS-ce760d3f-7
0.637
ALP-POS-696356e4-1
0.637
EDG-MED-5d232de5-2
0.637
BEN-DND-c852c98b-4
0.637
BEN-DND-4f474d93-2
0.637
EDG-MED-5d232de5-1
0.637
ALP-POS-ce760d3f-3
0.637
MAK-UNK-8be7dca9-7
0.617
ERI-UCB-b3e6b0c2-10
0.613
MAT-POS-f9802937-7
0.611
BEN-DND-c852c98b-5
0.611
BEN-DND-c852c98b-3
0.611
BEN-DND-c852c98b-1
0.604
BEN-DND-c852c98b-7
0.604
ALF-EVA-ced740bd-1
0.604
ALF-EVA-5b152d2f-7
0.598
BEN-DND-c852c98b-6
0.592
BEN-DND-c852c98b-2
0.586
NAU-LAT-b7d8c353-8
0.582
MAK-UNK-8be7dca9-6
0.582
BEN-DND-a7517465-5
0.579
ADA-UCB-dc2b944c-8
0.573
BEN-DND-a7517465-1
0.567
BEN-DND-a7517465-2
0.562
BEN-DND-a7517465-3
0.562
ALF-EVA-5b152d2f-3
0.558
MAK-UNK-8be7dca9-4
0.558
ALF-EVA-5b152d2f-1
0.557
BRU-CON-c4e3408a-1
0.554
DAR-DIA-6a508060-6
0.554
JAN-GHE-f4ca5a00-13
0.554
MAT-POS-b3e365b9-4
0.554
MAT-POS-b3e365b9-3
0.554
ERI-UCB-b3e6b0c2-15
0.544
ERI-UCB-b3e6b0c2-14
0.543
LON-WEI-0a73fcb8-7
0.543
ADA-UCB-dc2b944c-12
0.536
JOH-SUS-a69c159d-1
0.536
JOH-SUS-a69c159d-5
0.535
BEN-DND-a7517465-6
0.535
ALF-EVA-ced740bd-2
0.535
MAK-UNK-f481d203-2
0.526
MAK-UNK-f481d203-1
0.526
MAK-UNK-919546f0-1
0.526
ERI-UCB-9c7ec71b-2
0.526
EDJ-MED-e9694d2b-1
0.526
JOH-SUS-a69c159d-3
0.525
ADA-UCB-dc2b944c-5
0.520
BEN-DND-a7517465-10
0.520
MAT-POS-11b63608-1
0.520
BEN-DND-c852c98b-8
0.520
JOH-SUS-a69c159d-2
0.520
RAL-THA-05e671eb-5
0.520
JAG-UCB-c61058a9-7
0.516
MAT-POS-f7918075-2
0.516
EDJ-MED-12c115cc-2
0.516
EDJ-MED-12c115cc-1
0.516
MAT-POS-bbbbc21a-2
0.516
ADA-UCB-dc2b944c-11
0.515
VLA-UCB-53bdeed6-3
0.510
NAU-LAT-b7d8c353-1
0.510
RAL-THA-05e671eb-4
0.510
RAL-THA-05e671eb-3
0.510
ADA-UCB-dc2b944c-7
0.510
ALF-EVA-5b152d2f-4
0.510
ERI-UCB-b3e6b0c2-1
0.510
JOH-SUS-a69c159d-4
0.510
JOH-UNI-1b27fa5e-1
0.510
EDJ-MED-fb4b7746-2
0.510
EDJ-MED-fb4b7746-3
0.510
EDG-MED-0e5afe9d-2
0.510
BEN-DND-a7517465-11
0.510
JOH-UNI-1b27fa5e-6
0.505
JAG-UCB-c61058a9-11
0.505
JOH-UNI-1b27fa5e-5
0.505
BEN-DND-c852c98b-10
0.505
BEN-DND-a7517465-8
0.505
ADA-UCB-dc2b944c-10
0.505
BEN-DND-a7517465-7
0.505
ALP-UNI-3735e77e-3
0.500
NAU-LAT-b7d8c353-2
0.500
NAU-LAT-b7d8c353-5
0.500
JOH-UNI-1b27fa5e-7
0.500
JOH-UNI-f51e3bbc-2
0.500
RAL-THA-05e671eb-11
0.500