Molecular Properties | |
SMILES: | CN1CCc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)c2C1 |
MW: | 357.12 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 54.46 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-c852c98b-9
1.000
BEN-DND-c852c98b-8
0.685
BEN-DND-a7517465-10
0.685
BEN-DND-a7517465-8
0.663
BEN-DND-c852c98b-10
0.663
NAU-LAT-b7d8c353-2
0.621
ALP-POS-b3e0acc5-2
0.609
MAT-POS-a2421bb6-1
0.602
MIC-UNK-b904ca85-4
0.598
MAT-POS-a2421bb6-2
0.594
MIC-UNK-b904ca85-2
0.589
MAT-POS-afb6844f-2
0.581
MIC-UNK-b904ca85-1
0.576
PET-UNK-e274cad4-7
0.573
PET-UNK-b38839dc-3
0.562
PET-UNK-e274cad4-2
0.561
MIC-UNK-b904ca85-3
0.560
MAT-POS-afb6844f-1
0.559
MAT-POS-7ddaf7de-4
0.559
NAU-LAT-b7d8c353-6
0.554
MAT-POS-afb6844f-3
0.552
MAT-POS-b3e365b9-4
0.548
MAT-POS-b3e365b9-3
0.548
DAR-DIA-6a508060-6
0.548
BRU-CON-c4e3408a-1
0.548
JAN-GHE-f4ca5a00-13
0.548
RAL-THA-3d7a794f-4
0.543
BEN-DND-a7517465-3
0.541
EDJ-MED-fb4b7746-4
0.539
EDG-MED-0e5afe9d-1
0.539
MAK-UNK-919546f0-1
0.537
MAK-UNK-f481d203-2
0.537
MAK-UNK-f481d203-1
0.537
MAT-POS-afb6844f-4
0.536
PET-UNK-b1ef24dc-5
0.536
MAK-UNK-8be7dca9-9
0.535
MAT-POS-2bb0cf2b-2
0.535
EDJ-MED-fb4b7746-1
0.535
EDJ-MED-51d3200d-4
0.531
EDJ-MED-ba7e64f2-1
0.531
EDG-MED-5d232de5-2
0.531
ALP-POS-696356e4-1
0.531
ALP-POS-ce760d3f-7
0.531
EDG-MED-5d232de5-1
0.531
BEN-DND-c852c98b-4
0.531
BEN-DND-a7517465-1
0.530
MAK-UNK-8be7dca9-7
0.530
JOH-UNI-1b27fa5e-7
0.526
MAT-POS-a2421bb6-4
0.526
MAT-POS-afb6844f-5
0.525
MAT-POS-f9802937-7
0.525
LON-WEI-0a73fcb8-7
0.521
EDJ-MED-e9694d2b-1
0.521
ERI-UCB-9c7ec71b-2
0.521
EDJ-MED-51d3200d-3
0.520
PET-UNK-b1ef24dc-8
0.520
BEN-DND-4f474d93-1
0.520
BEN-DND-4f474d93-3
0.520
VLA-UCB-1dbca3b4-15
0.520
MAT-POS-b3e365b9-1
0.520
MAT-POS-b3e365b9-2
0.520
ALP-POS-ce760d3f-2
0.520
MAT-POS-f7918075-1
0.520
PET-UNK-b1ef24dc-7
0.520
MIC-UNK-7574fcc6-2
0.520
EDJ-MED-fb4b7746-3
0.520
EDG-MED-0e5afe9d-2
0.520
ALF-EVA-5b152d2f-2
0.520
BEN-DND-a7517465-11
0.520
ALF-EVA-ced740bd-1
0.520
MAR-UCB-fd2e172f-30
0.519
ALP-POS-ce760d3f-3
0.515
JOH-UNI-1b27fa5e-5
0.515
BEN-DND-4f474d93-2
0.515
MAT-POS-14f31916-1
0.515
MAT-POS-d8472c4f-6
0.515
PET-UNK-ee8352fa-5
0.515
ALF-EVA-ced740bd-2
0.515
MAT-POS-8293a91a-1
0.510
PET-UNK-b1ef24dc-6
0.510
BEN-DND-a7517465-2
0.510
BEN-DND-a7517465-5
0.510
MAT-POS-14f31916-5
0.510
PET-UNK-7f7e354d-1
0.510
PET-UNK-ee8352fa-4
0.510
MAT-POS-14f31916-4
0.510
BEN-DND-c852c98b-3
0.510
BEN-DND-c852c98b-5
0.510
ERI-UCB-8d4e5055-4
0.510
PET-UNK-b38839dc-5
0.510
TET-ENA-382364b7-1
0.510
MAT-POS-1f3c8e6f-1
0.505
PET-UNK-03fd2068-1
0.505
ADA-UCB-dc2b944c-8
0.505
EDJ-MED-fb4b7746-2
0.505
MAT-POS-7ddaf7de-2
0.505
MAT-POS-a2421bb6-3
0.505
PET-UNK-6314f867-1
0.505
ERI-UCB-8d4e5055-3
0.505
RUB-POS-1325a9ea-10
0.505